Taxuspinanane B
TL;DR: Taxuspinanane B (CAS 187740-01-8) is a chemical compound with molecular formula C33H40O11 and molecular weight 612.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2-oxo-1,4,5,6,7,8,9a,10-octahydrobenzo[g]azulen-4-yl] benzoate
Also Known As: Taxuspinanane B, 13-OXO-TAXCHININ A, [(4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2-oxo-1,4,5,6,7,8,9a,10-octahydrobenzo[g]azulen-4-yl] benzoate, (3aS,4S,4aR,6S,8S,8aS,9R,10R)-4,8,9-tris(acetyloxy)-6-hydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,8H,8aH,9H,10H-cyclohexa[f]azulen-10-yl benzoate, 3aalpha-(1-Hydroxy-1-methylethyl)-4beta,8alpha,9beta-triacetoxy-6beta-hydroxy-5-methylene-1,8aalpha-dimethyl-10alpha-(benzoyloxy)-3a,4,4abeta,5,6,7,8,8a,9,10-decahydrobenz[f]azulen-2(3H)-one
| Molecular Formula | C33H40O11 |
|---|---|
| Molecular Weight | 612.26 g/mol |
| LogP | 3.0106 |
| Topological Polar Surface Area | 162.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.2571 |
| Heavy Atoms | 44 |
| Complexity | 1420.5292 |
Chemical Identifiers
| CAS Number | 187740-01-8 |
|---|---|
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@]2(CC1=O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4 |
Product Overview
Taxuspinanane B (CAS 187740-01-8), with molecular formula C33H40O11 and molecular weight 612.26 g/mol. IUPAC: [(4R,5R,5aS,6S,8S,9aR,10S,10aS)-5,6,10-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2-oxo-1,4,5,6,7,8,9a,10-octahydrobenzo[g]azulen-4-yl] benzoate.
Chemical Property Profile of Taxuspinanane B
Property Insights of Taxuspinanane B
The XLogP value of 3.0106 indicates that Taxuspinanane B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.73 Ų indicates high polarity, suggesting Taxuspinanane B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taxuspinanane B has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taxuspinanane B?
The CAS number of Taxuspinanane B is 187740-01-8.
What is the molecular formula of Taxuspinanane B?
The molecular formula of Taxuspinanane B is C33H40O11.
What is the molecular weight of Taxuspinanane B?
The molecular weight of Taxuspinanane B is 612.26 g/mol.
Where can I buy Taxuspinanane B?
You can request a quote for Taxuspinanane B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxuspinanane B?
Yes, KEHONG BIO provides custom synthesis services for Taxuspinanane B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.