12beta,13alpha-Dihydrojervine-11alpha-ol
TL;DR: 12beta,13alpha-Dihydrojervine-11alpha-ol (CAS 73825-59-9) is a chemical compound with molecular formula C27H43NO3 and molecular weight 429.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,10R,10aS,11R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol
Also Known As: 12beta,13alpha-Dihydrojervine-11alpha-ol, 12-beta,13-alpha-Dihydrojervine-11-alpha-ol, 11-Deoxo-12-beta,13-alpha-dihydro-11-alpha-hydroxyjervine, JERVINE, 11-DEOXO-12-beta,13-alpha-DIHYDRO-11-alpha-HYDROXY-, (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,10R,10aS,11R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol
| Molecular Formula | C27H43NO3 |
|---|---|
| Molecular Weight | 429.32 g/mol |
| LogP | 3.9085 |
| Topological Polar Surface Area | 61.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 429.32428 |
| Heavy Atoms | 31 |
| Complexity | 767.5805 |
Chemical Identifiers
| CAS Number | 73825-59-9 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5[C@@H]([C@@H]4[C@H]3C)O)C)O)C)NC1 |
Product Overview
12beta,13alpha-Dihydrojervine-11alpha-ol (CAS 73825-59-9), with molecular formula C27H43NO3 and molecular weight 429.32 g/mol. IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,10R,10aS,11R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol.
Chemical Property Profile of 12beta,13alpha-Dihydrojervine-11alpha-ol
Property Insights of 12beta,13alpha-Dihydrojervine-11alpha-ol
The XLogP value of 3.9085 indicates that 12beta,13alpha-Dihydrojervine-11alpha-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 12beta,13alpha-Dihydrojervine-11alpha-ol. Following Lipinski's Rule of Five, 12beta,13alpha-Dihydrojervine-11alpha-ol has 3 hydrogen bond donor(s) and 4 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 12beta,13alpha-Dihydrojervine-11alpha-ol?
The CAS number of 12beta,13alpha-Dihydrojervine-11alpha-ol is 73825-59-9.
What is the molecular formula of 12beta,13alpha-Dihydrojervine-11alpha-ol?
The molecular formula of 12beta,13alpha-Dihydrojervine-11alpha-ol is C27H43NO3.
What is the molecular weight of 12beta,13alpha-Dihydrojervine-11alpha-ol?
The molecular weight of 12beta,13alpha-Dihydrojervine-11alpha-ol is 429.32 g/mol.
Where can I buy 12beta,13alpha-Dihydrojervine-11alpha-ol?
You can request a quote for 12beta,13alpha-Dihydrojervine-11alpha-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12beta,13alpha-Dihydrojervine-11alpha-ol?
Yes, KEHONG BIO provides custom synthesis services for 12beta,13alpha-Dihydrojervine-11alpha-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.