Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-
TL;DR: Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- (CAS 76094-30-9) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3'R,4S,5'S,6S,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3',16,19-triol
Also Known As: Neosolaspigenin, Hainangenin, Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-, (23R,25S)-5alpha-Spirostane-3beta,6alpha,23-triol, (1'R,2S,2'S,3R,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S,18'S,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-3,16',19'-triol
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 76094-30-9 |
|---|---|
| SMILES | C[C@H]1C[C@H]([C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1)O |
| InChIKey | GDFVLFBHNREYBP-ZSHNAYFSSA-N |
Product Overview
Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- (CAS 76094-30-9), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (1R,2S,3'R,4S,5'S,6S,7S,8R,9S,12S,13R,16S,18S,19S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3',16,19-triol.
Chemical Property Profile of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-
Property Insights of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-
The XLogP value of 4.2 indicates that Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-. Following Lipinski's Rule of Five, Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- has 3 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 Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-?
The CAS number of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- is 76094-30-9.
What is the molecular formula of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-?
The molecular formula of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- is C27H44O5.
What is the molecular weight of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-?
The molecular weight of Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- is 448.32 g/mol.
Where can I buy Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-?
You can request a quote for Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)-?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-3,6,23-triol, (3beta,5alpha,6alpha,23R,25S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.