14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate structure

14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate

TL;DR: 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate (CAS 7231-98-3) is a chemical compound with molecular formula C48H70O15 and molecular weight 886.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

[3-acetyloxy-14-[2-(3,6-diacetyloxy-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Also Known As: 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate

CAS: 7231-98-3
Molecular Formula C48H70O15
Molecular Weight 886.47 g/mol
LogP 3.3871
Topological Polar Surface Area 240.49 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 15
Rotatable Bonds 7
Exact Mass 886.4715
Heavy Atoms 63
Complexity 1962.7479

Chemical Identifiers

CAS Number 7231-98-3
SMILES CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)OC(=O)C)O)C(=O)C4CCC5(C6CC(C7C8(CCC(C(C8C(C(C7(C6)C5=O)O)OC(=O)C)(C)C)OC(=O)C)C)O)O)O)C

Product Overview

14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate (CAS 7231-98-3), with molecular formula C48H70O15 and molecular weight 886.47 g/mol. IUPAC: [3-acetyloxy-14-[2-(3,6-diacetyloxy-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate

XLogP
3.3871
TPSA (Topological Polar Surface Area)
240.49
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
15
Rotatable Bonds
7
Heavy Atoms
63
Complexity
1962.7479
Exact Mass
886.4715
Monoisotopic Mass
886.4715
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate

The XLogP value of 3.3871 indicates that 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 240.49 Ų indicates high polarity, suggesting 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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Frequently Asked Questions

What is the CAS number of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate?

The CAS number of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate is 7231-98-3.

What is the molecular formula of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate?

The molecular formula of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate is C48H70O15.

What is the molecular weight of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate?

The molecular weight of 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate is 886.47 g/mol.

Where can I buy 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate?

You can request a quote for 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate?

Yes, KEHONG BIO provides custom synthesis services for 14-{2-[3,6-Bis(acetyloxy)-2,11,14-trihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-14-yl]ethyl}-2,11-dihydroxy-5,5,9-trimethyl-15-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-3,6-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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