Tetrahydrojervine
TL;DR: Tetrahydrojervine (CAS 28463-81-2) 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,4aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Also Known As: Tetrahydrojervine, 5alpha,6,12beta,13alpha-Tetrahydrojervine, Jervine, 5alpha,6,12beta,13alpha-tetrahydro-, (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one, (3S,3'R,3a'S,4aS,6aS,6bS,6'S,7a'R,9S,10R,10aS,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylicosahydro-3'H-spiro[benzo[a]fluorene-9,2'-furo[3,2-b]pyridin]-11(1H)-one
| Molecular Formula | C27H43NO3 |
|---|---|
| Molecular Weight | 429.32 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 429.32428 |
| Heavy Atoms | 31 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 28463-81-2 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@H]6C[C@H](CC[C@@]6([C@H]5C(=O)[C@@H]4[C@H]3C)C)O)C)NC1 |
| InChIKey | GYVQVIRGEHIFFA-XESBCQQLSA-N |
Product Overview
Tetrahydrojervine (CAS 28463-81-2), with molecular formula C27H43NO3 and molecular weight 429.32 g/mol. IUPAC: (3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11aS,11bS)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one.
Chemical Property Profile of Tetrahydrojervine
Property Insights of Tetrahydrojervine
The XLogP value of 4.5 indicates that Tetrahydrojervine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Tetrahydrojervine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrojervine has 2 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 Tetrahydrojervine?
The CAS number of Tetrahydrojervine is 28463-81-2.
What is the molecular formula of Tetrahydrojervine?
The molecular formula of Tetrahydrojervine is C27H43NO3.
What is the molecular weight of Tetrahydrojervine?
The molecular weight of Tetrahydrojervine is 429.32 g/mol.
Where can I buy Tetrahydrojervine?
You can request a quote for Tetrahydrojervine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrojervine?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrojervine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.