Spirosta-5,25(27)-dien-1,3,11-triol
TL;DR: Spirosta-5,25(27)-dien-1,3,11-triol (CAS 38941-47-8) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,6R,7S,8R,9S,11R,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-11,14,16-triol
Also Known As: KST-1A4477, Spirosta-5,25(27)-dien-1,3,11-triol, spirostan-5(6),25(27)-dien-1b,3b,11a-triol, (1, A,3
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 38941-47-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C[C@H]([C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O)O)C)O)C)O[C@]16CCC(=C)CO6 |
| InChIKey | HAIJPYDYMMUVDU-LICPOKBFSA-N |
Product Overview
Spirosta-5,25(27)-dien-1,3,11-triol (CAS 38941-47-8), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: (1S,2S,4S,6R,7S,8R,9S,11R,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-11,14,16-triol.
Chemical Property Profile of Spirosta-5,25(27)-dien-1,3,11-triol
Property Insights of Spirosta-5,25(27)-dien-1,3,11-triol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirosta-5,25(27)-dien-1,3,11-triol. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirosta-5,25(27)-dien-1,3,11-triol. Following Lipinski's Rule of Five, Spirosta-5,25(27)-dien-1,3,11-triol 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 Spirosta-5,25(27)-dien-1,3,11-triol?
The CAS number of Spirosta-5,25(27)-dien-1,3,11-triol is 38941-47-8.
What is the molecular formula of Spirosta-5,25(27)-dien-1,3,11-triol?
The molecular formula of Spirosta-5,25(27)-dien-1,3,11-triol is C27H40O5.
What is the molecular weight of Spirosta-5,25(27)-dien-1,3,11-triol?
The molecular weight of Spirosta-5,25(27)-dien-1,3,11-triol is 444.29 g/mol.
Where can I buy Spirosta-5,25(27)-dien-1,3,11-triol?
You can request a quote for Spirosta-5,25(27)-dien-1,3,11-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirosta-5,25(27)-dien-1,3,11-triol?
Yes, KEHONG BIO provides custom synthesis services for Spirosta-5,25(27)-dien-1,3,11-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.