![1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose structure](/static/products/7278/72786-33-5.webp)
1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose
TL;DR: 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose (CAS 72786-33-5) is a chemical compound with molecular formula C42H68O13 and molecular weight 780.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose, [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C42H68O13 |
|---|---|
| Molecular Weight | 780.47 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 780.466 |
| Heavy Atoms | 55 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 72786-33-5 |
|---|---|
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C |
| InChIKey | LKYABSOYLMWGQR-UHFFFAOYSA-N |
Product Overview
1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose (CAS 72786-33-5), with molecular formula C42H68O13 and molecular weight 780.47 g/mol. IUPAC: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose
Property Insights of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose
The XLogP value of 4.1 indicates that 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose?
The CAS number of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose is 72786-33-5.
What is the molecular formula of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose?
The molecular formula of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose is C42H68O13.
What is the molecular weight of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose?
The molecular weight of 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose is 780.47 g/mol.
Where can I buy 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose?
You can request a quote for 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.