UNDULATONE
TL;DR: UNDULATONE (CAS 70993-77-0) is a chemical compound with molecular formula C27H34O11 and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl) 2-methylbut-2-enoate
Also Known As: [(1S,4R,5R,6R,7S,8R,11S,12R,13S,17S,18S,19R)-8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] (E)-2-methylbut-2-enoate
| Molecular Formula | C27H34O11 |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.2101 |
| Heavy Atoms | 38 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 70993-77-0 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)OC(=O)C)C)O)C |
| InChIKey | VKCVPDRXEYKUOZ-UHFFFAOYSA-N |
Product Overview
UNDULATONE (CAS 70993-77-0), with molecular formula C27H34O11 and molecular weight 534.21 g/mol. IUPAC: (8-acetyloxy-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl) 2-methylbut-2-enoate.
Chemical Property Profile of UNDULATONE
Property Insights of UNDULATONE
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UNDULATONE. The TPSA of 166.0 Ų indicates high polarity, suggesting UNDULATONE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UNDULATONE has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UNDULATONE?
The CAS number of UNDULATONE is 70993-77-0.
What is the molecular formula of UNDULATONE?
The molecular formula of UNDULATONE is C27H34O11.
What is the molecular weight of UNDULATONE?
The molecular weight of UNDULATONE is 534.21 g/mol.
Where can I buy UNDULATONE?
You can request a quote for UNDULATONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UNDULATONE?
Yes, KEHONG BIO provides custom synthesis services for UNDULATONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.