Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-
TL;DR: Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- (CAS 6205-72-7) is a chemical compound with molecular formula C29H45NO3 and molecular weight 455.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl) acetate
Also Known As: Acetylsolasodine, O-Acetylsolasodine, Solasodine acetate, 3-Acetyl-solasodine, Solasodine 3-acetate
| Molecular Formula | C29H45NO3 |
|---|---|
| Molecular Weight | 455.34 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.33994 |
| Heavy Atoms | 33 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 6205-72-7 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)NC1 |
| InChIKey | MCQNPWNREVNWDQ-UHFFFAOYSA-N |
Product Overview
Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- (CAS 6205-72-7), with molecular formula C29H45NO3 and molecular weight 455.34 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl) acetate.
Chemical Property Profile of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-
Property Insights of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-
The XLogP value of 6.0 indicates that Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-?
The CAS number of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- is 6205-72-7.
What is the molecular formula of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-?
The molecular formula of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- is C29H45NO3.
What is the molecular weight of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-?
The molecular weight of Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- is 455.34 g/mol.
Where can I buy Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-?
You can request a quote for Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)-?
Yes, KEHONG BIO provides custom synthesis services for Spirosol-5-en-3-ol, acetate (ester), (3beta,22alpha,25R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.