3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene
TL;DR: 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene (CAS 123564-58-9) is a chemical compound with molecular formula C53H92O7 and molecular weight 840.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate
Also Known As: 3-Sgsgd, 3-O-(6'-O-Stearoylglucosyl)stigmasta-5,25(27)-diene, 3-O-(6'-O-Stearoyl-beta-D-glucosyl)stigmasta-5,25(27)-dien, Stigmasta-5,25-dien-3-yl 6-O-octadecanoylhexopyranoside, 3-O-(6/'-O-stearoylglucosyl)stigmasta-5,25(27)-diene
| Molecular Formula | C53H92O7 |
|---|---|
| Molecular Weight | 840.68 g/mol |
| LogP | 16.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 27 |
| Exact Mass | 840.6843 |
| Heavy Atoms | 60 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 123564-58-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CC[C@H](CC)C(=C)C)C)C)O)O)O |
| InChIKey | OYZQYQSPKPQLFO-QZQJMBPMSA-N |
Product Overview
3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene (CAS 123564-58-9), with molecular formula C53H92O7 and molecular weight 840.68 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-6-[[(10R,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadecanoate.
Chemical Property Profile of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene
Property Insights of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene
The XLogP value of 16.1 indicates that 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene. Following Lipinski's Rule of Five, 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene?
The CAS number of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene is 123564-58-9.
What is the molecular formula of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene?
The molecular formula of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene is C53H92O7.
What is the molecular weight of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene?
The molecular weight of 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene is 840.68 g/mol.
Where can I buy 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene?
You can request a quote for 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene?
Yes, KEHONG BIO provides custom synthesis services for 3-O-(6'-O-stearoylglucosyl)stigmasta-5,25(27)-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.