Lupanol 3-beta-diglucoside
TL;DR: Lupanol 3-beta-diglucoside (CAS 120527-58-4) is a chemical compound with molecular formula C42H72O11 and molecular weight 752.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(1S,3aR,5aR,5bR,7aS,11aS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Also Known As: Lupanol 3-beta-diglucoside, 1-C-(Lupan-3-yl)hexopyranosyl hexopyranoside, (2S,3R,4S,5S,6R)-2-[(1S,3aR,5aR,5bR,7aS,11aS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol, 1-C-[(9xi)-Lupan-3-yl]-beta-D-glucopyranosyl beta-D-glucopyranoside, beta-D-Glucopyranoside, (3beta)-lupan-3-yl O-beta-D-glucopyranosyl-
| Molecular Formula | C42H72O11 |
|---|---|
| Molecular Weight | 752.51 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 752.50745 |
| Heavy Atoms | 53 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 120527-58-4 |
|---|---|
| SMILES | CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3CCC4[C@]5(CCC(C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)[C@@]6([C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C |
| InChIKey | SQLBDGHCDJLXIZ-LEKZHJJBSA-N |
Product Overview
Lupanol 3-beta-diglucoside (CAS 120527-58-4), with molecular formula C42H72O11 and molecular weight 752.51 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(1S,3aR,5aR,5bR,7aS,11aS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of Lupanol 3-beta-diglucoside
Property Insights of Lupanol 3-beta-diglucoside
The XLogP value of 6.4 indicates that Lupanol 3-beta-diglucoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting Lupanol 3-beta-diglucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lupanol 3-beta-diglucoside has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lupanol 3-beta-diglucoside?
The CAS number of Lupanol 3-beta-diglucoside is 120527-58-4.
What is the molecular formula of Lupanol 3-beta-diglucoside?
The molecular formula of Lupanol 3-beta-diglucoside is C42H72O11.
What is the molecular weight of Lupanol 3-beta-diglucoside?
The molecular weight of Lupanol 3-beta-diglucoside is 752.51 g/mol.
Where can I buy Lupanol 3-beta-diglucoside?
You can request a quote for Lupanol 3-beta-diglucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lupanol 3-beta-diglucoside?
Yes, KEHONG BIO provides custom synthesis services for Lupanol 3-beta-diglucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.