Hymenolane
TL;DR: Hymenolane (CAS 62121-29-3) is a chemical compound with molecular formula C21H30O8 and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate
Also Known As: Hymenolane, 13-Dihydrocarminomycinone, [(1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate, Azuleno(6,5-b)furan-2(3H)-one, decahydro-3,4a,8-trimethyl-5,6,7-tris(acetyloxy)-, (3S-(3-alpha,3a-beta,4a-alpha,5-alpha,6-beta,7-beta,7a-beta,8-beta,9a-beta))-, ((1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno(6,5-b)furan-6-yl) acetate
| Molecular Formula | C21H30O8 |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.19406 |
| Heavy Atoms | 29 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 62121-29-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)C)[C@@H](C(=O)O2)C |
| InChIKey | XUCKYCQJMPCOTH-TZCKWNCHSA-N |
Product Overview
Hymenolane (CAS 62121-29-3), with molecular formula C21H30O8 and molecular weight 410.19 g/mol. IUPAC: [(1S,3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] acetate.
Chemical Property Profile of Hymenolane
Property Insights of Hymenolane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hymenolane. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hymenolane. Following Lipinski's Rule of Five, Hymenolane has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hymenolane?
The CAS number of Hymenolane is 62121-29-3.
What is the molecular formula of Hymenolane?
The molecular formula of Hymenolane is C21H30O8.
What is the molecular weight of Hymenolane?
The molecular weight of Hymenolane is 410.19 g/mol.
Where can I buy Hymenolane?
You can request a quote for Hymenolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hymenolane?
Yes, KEHONG BIO provides custom synthesis services for Hymenolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.