Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-
TL;DR: Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- (CAS 86023-87-2) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13S,16S,18S)-10,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one
Also Known As: 11-Ketorockogenin, Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-, (3beta,5alpha,12beta,25R)spirostan-3,12-diol-11-one, (3beta,5alpha,12beta,25R)-spirostan-3,12-diol-11-one, Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 86023-87-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C(=O)[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1 |
| InChIKey | DGRJLOFFNWNGJO-YKCHTTGDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- (CAS 86023-87-2), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: (1S,2S,4S,5'R,6R,7S,8R,9S,10S,12S,13S,16S,18S)-10,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one.
Chemical Property Profile of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-
Property Insights of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-
The XLogP value of 4.3 indicates that Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-. Following Lipinski's Rule of Five, Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- has 2 hydrogen bond donor(s) and 5 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 Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-?
The CAS number of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- is 86023-87-2.
What is the molecular formula of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-?
The molecular formula of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- is C27H42O5.
What is the molecular weight of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-?
The molecular weight of Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- is 446.30 g/mol.
Where can I buy Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-?
You can request a quote for Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)-?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-11-one, 3,12-dihydroxy-, (3beta,5alpha,12beta,25R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.