19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one
TL;DR: 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one (CAS 81360-35-2) is a chemical compound with molecular formula C22H30O5 and molecular weight 374.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3bR,5aR,6S,7S,9aR,9bR)-7-hydroxy-3b,6,9a-trimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl acetate
Also Known As: 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one, Spongia-13(16),14-dien-2-one, 19-acetoxy-3alpha-hydroxy-, Androst-4-ene-3beta,17beta-diol dicyclopentylpropionate, Phenanthro(1,2-c)furan-8(4H)-one, 6-((acetyloxy)methyl)-7-hydroxy-3b,5,5a,6,7,9,9a,9b,10,11-decahydro-3b,6,9a-trimethyl-, (3bR,5aR,6S,7S,9aR,9bR)-, [(3bR,5aR,6S,7S,9aR,9bR)-7-hydroxy-3b,6,9a-trimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl acetate
| Molecular Formula | C22H30O5 |
|---|---|
| Molecular Weight | 374.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.20932 |
| Heavy Atoms | 27 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 81360-35-2 |
|---|---|
| SMILES | CC(=O)OC[C@@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC(=O)[C@H]1O)C)CCC4=COC=C43)C)C |
| InChIKey | RRPXPWIUNPSBIL-SPZHGEQOSA-N |
Product Overview
19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one (CAS 81360-35-2), with molecular formula C22H30O5 and molecular weight 374.21 g/mol. IUPAC: [(3bR,5aR,6S,7S,9aR,9bR)-7-hydroxy-3b,6,9a-trimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-6-yl]methyl acetate.
Chemical Property Profile of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one
Property Insights of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one
The XLogP value of 3.6 indicates that 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one. Following Lipinski's Rule of Five, 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one has 1 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 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one?
The CAS number of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one is 81360-35-2.
What is the molecular formula of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one?
The molecular formula of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one is C22H30O5.
What is the molecular weight of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one?
The molecular weight of 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one is 374.21 g/mol.
Where can I buy 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one?
You can request a quote for 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 19-Acetoxy-3alpha-hydroxyspongia-13(16),14-dien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.