24-O-beta-D-Glucopyranosyl officigenin
TL;DR: 24-O-beta-D-Glucopyranosyl officigenin (CAS 100009-97-0) is a chemical compound with molecular formula C66H102O14 and molecular weight 1118.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4a-carboxy-10-hydroxy-2,6a,6b,9,12a-pentamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carbonyl]oxymethyl]-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: 24-O-beta-D-Glucopyranosyl officigenin, 2-[[4a-carboxy-10-hydroxy-2,6a,6b,9,12a-pentamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carbonyl]oxymethyl]-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, Olean-12-ene-28,29-dioic acid, 24-(beta-D-glucopyranosyloxy)-3-hydroxy-, 29-((3beta,20alpha)-17-carboxy-3-oxo-28-norolean-12-en-29-yl) ester, (3beta,4beta,20alpha)-
| Molecular Formula | C66H102O14 |
|---|---|
| Molecular Weight | 1118.73 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 241.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 1118.7269 |
| Heavy Atoms | 80 |
| Complexity | 2560.0 |
Chemical Identifiers
| CAS Number | 100009-97-0 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)COC(=O)C6(CCC7(CCC8(C(=CCC9C8(CCC1C9(CCC(C1(C)COC1C(C(C(C(O1)CO)O)O)O)O)C)C)C7C6)C)C(=O)O)C)C(=O)O)C)C)C |
| InChIKey | JXOPLJROXYWZMK-UHFFFAOYSA-N |
Product Overview
24-O-beta-D-Glucopyranosyl officigenin (CAS 100009-97-0), with molecular formula C66H102O14 and molecular weight 1118.73 g/mol. IUPAC: 2-[[4a-carboxy-10-hydroxy-2,6a,6b,9,12a-pentamethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carbonyl]oxymethyl]-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 24-O-beta-D-Glucopyranosyl officigenin
Property Insights of 24-O-beta-D-Glucopyranosyl officigenin
The XLogP value of 9.7 indicates that 24-O-beta-D-Glucopyranosyl officigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 241.0 Ų indicates high polarity, suggesting 24-O-beta-D-Glucopyranosyl officigenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 24-O-beta-D-Glucopyranosyl officigenin has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 24-O-beta-D-Glucopyranosyl officigenin?
The CAS number of 24-O-beta-D-Glucopyranosyl officigenin is 100009-97-0.
What is the molecular formula of 24-O-beta-D-Glucopyranosyl officigenin?
The molecular formula of 24-O-beta-D-Glucopyranosyl officigenin is C66H102O14.
What is the molecular weight of 24-O-beta-D-Glucopyranosyl officigenin?
The molecular weight of 24-O-beta-D-Glucopyranosyl officigenin is 1118.73 g/mol.
Where can I buy 24-O-beta-D-Glucopyranosyl officigenin?
You can request a quote for 24-O-beta-D-Glucopyranosyl officigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 24-O-beta-D-Glucopyranosyl officigenin?
Yes, KEHONG BIO provides custom synthesis services for 24-O-beta-D-Glucopyranosyl officigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.