11-Carolenalin-4-O-beta-D-glucoside
TL;DR: 11-Carolenalin-4-O-beta-D-glucoside (CAS 79236-44-5) is a chemical compound with molecular formula C21H32O9 and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
Also Known As: 11-Carolenalin-4-O-beta-D-glucoside, Azuleno(6,5-b)furan-2(3H)-one, 5-(beta-D-glucopyranosyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-6-hydroxy-3,5,8-trimethyl-, (3S-(3alpha,3abeta,4abeta,5beta,6beta,7abeta,9abeta))-, (1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one, (3S,3aR,4aR,5R,6R,7aR,9aS)-6-hydroxy-3,5,8-trimethyl-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-5-yl beta-D-glucopyranoside, 6-Hydroxy-3,5,8-trimethyl-2-oxo-2,3,3a,4,4a,5,6,7,7a,9a-decahydroazuleno[6,5-b]furan-5-yl hexopyranoside
| Molecular Formula | C21H32O9 |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.20462 |
| Heavy Atoms | 30 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 79236-44-5 |
|---|---|
| SMILES | C[C@H]1[C@H]2C[C@@H]3[C@@H](C[C@H]([C@]3(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=C[C@H]2OC1=O)C |
| InChIKey | FRZGKDJOIPJTOV-MKAUMMRVSA-N |
Product Overview
11-Carolenalin-4-O-beta-D-glucoside (CAS 79236-44-5), with molecular formula C21H32O9 and molecular weight 428.20 g/mol. IUPAC: (1S,3aS,5aR,7R,8R,8aR,9aR)-7-hydroxy-1,5,8-trimethyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one.
Chemical Property Profile of 11-Carolenalin-4-O-beta-D-glucoside
Property Insights of 11-Carolenalin-4-O-beta-D-glucoside
The XLogP value of -0.8 indicates that 11-Carolenalin-4-O-beta-D-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 11-Carolenalin-4-O-beta-D-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-Carolenalin-4-O-beta-D-glucoside has 5 hydrogen bond donor(s) and 9 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 11-Carolenalin-4-O-beta-D-glucoside?
The CAS number of 11-Carolenalin-4-O-beta-D-glucoside is 79236-44-5.
What is the molecular formula of 11-Carolenalin-4-O-beta-D-glucoside?
The molecular formula of 11-Carolenalin-4-O-beta-D-glucoside is C21H32O9.
What is the molecular weight of 11-Carolenalin-4-O-beta-D-glucoside?
The molecular weight of 11-Carolenalin-4-O-beta-D-glucoside is 428.20 g/mol.
Where can I buy 11-Carolenalin-4-O-beta-D-glucoside?
You can request a quote for 11-Carolenalin-4-O-beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Carolenalin-4-O-beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for 11-Carolenalin-4-O-beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.