6-Methylspirost-5-en-3-ol
TL;DR: 6-Methylspirost-5-en-3-ol (CAS 86533-46-2) is a chemical compound with molecular formula C28H44O3 and molecular weight 428.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-5',7,9,13,19-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Also Known As: 6-Methyldiosgenin, 6-methylspirost-5-en-3-ol, KST-1A8955, (3, A,22xi,25r)-6-methylspirost-5-en-3-ol
| Molecular Formula | C28H44O3 |
|---|---|
| Molecular Weight | 428.33 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 428.32904 |
| Heavy Atoms | 31 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 86533-46-2 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=C6[C@@]5(CC[C@@H](C6)O)C)C)C)C)OC1 |
| InChIKey | RJQCTQMDJCNDGK-DHBSUMGVSA-N |
Product Overview
6-Methylspirost-5-en-3-ol (CAS 86533-46-2), with molecular formula C28H44O3 and molecular weight 428.33 g/mol. IUPAC: (1S,2S,4S,5'R,7S,8R,9S,12S,13R,16S)-5',7,9,13,19-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol.
Chemical Property Profile of 6-Methylspirost-5-en-3-ol
Property Insights of 6-Methylspirost-5-en-3-ol
The XLogP value of 5.6 indicates that 6-Methylspirost-5-en-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 6-Methylspirost-5-en-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylspirost-5-en-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 6-Methylspirost-5-en-3-ol?
The CAS number of 6-Methylspirost-5-en-3-ol is 86533-46-2.
What is the molecular formula of 6-Methylspirost-5-en-3-ol?
The molecular formula of 6-Methylspirost-5-en-3-ol is C28H44O3.
What is the molecular weight of 6-Methylspirost-5-en-3-ol?
The molecular weight of 6-Methylspirost-5-en-3-ol is 428.33 g/mol.
Where can I buy 6-Methylspirost-5-en-3-ol?
You can request a quote for 6-Methylspirost-5-en-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylspirost-5-en-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylspirost-5-en-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.