Spirostan-3-ol
TL;DR: Spirostan-3-ol (CAS 82597-74-8) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Also Known As: Spirostan-3-ol, Sarsasapogenin, Sarsaponin, Tigogenin, Smilagenin
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.7938 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 683.59564 |
Chemical Identifiers
| CAS Number | 82597-74-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CCC(C5)O)C)C)O[C@]16CCC(CO6)C |
Product Overview
Spirostan-3-ol (CAS 82597-74-8), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (1R,2S,4S,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol.
Chemical Property Profile of Spirostan-3-ol
Property Insights of Spirostan-3-ol
The XLogP value of 5.7938 indicates that Spirostan-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, Spirostan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirostan-3-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spirostan-3-ol?
The CAS number of Spirostan-3-ol is 82597-74-8.
What is the molecular formula of Spirostan-3-ol?
The molecular formula of Spirostan-3-ol is C27H44O3.
What is the molecular weight of Spirostan-3-ol?
The molecular weight of Spirostan-3-ol is 416.33 g/mol.
Where can I buy Spirostan-3-ol?
You can request a quote for Spirostan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirostan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for Spirostan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.