Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)
TL;DR: Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) (CAS 64047-51-4) is a chemical compound with molecular formula C29H43NO5 and molecular weight 485.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3'aS,7'aR,9R)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one;acetic acid
Also Known As: Jervine, acetate, Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1), Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)pyridine), vertatraman-11-one deriv, Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3beta,23beta)-, acetate (salt), (3'aS,7'aR,9R)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one; acetic acid
| Molecular Formula | C29H43NO5 |
|---|---|
| Molecular Weight | 485.31 g/mol |
| LogP | 4.27 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 485.31412 |
| Heavy Atoms | 35 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 64047-51-4 |
|---|---|
| SMILES | CC1C[C@@H]2[C@H](C([C@]3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1.CC(=O)O |
| InChIKey | JEDVQALXWXZHFN-PWXALBKFSA-N |
Product Overview
Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) (CAS 64047-51-4), with molecular formula C29H43NO5 and molecular weight 485.31 g/mol. IUPAC: (3'aS,7'aR,9R)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one;acetic acid.
Chemical Property Profile of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)
Property Insights of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)
The XLogP value of 4.27 indicates that Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1). Following Lipinski's Rule of Five, Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) has 3 hydrogen bond donor(s) and 6 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 Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)?
The CAS number of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) is 64047-51-4.
What is the molecular formula of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)?
The molecular formula of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) is C29H43NO5.
What is the molecular weight of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)?
The molecular weight of Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) is 485.31 g/mol.
Where can I buy Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)?
You can request a quote for Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid--3-hydroxy-17,23-epoxyveratraman-11-one (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.