kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside
TL;DR: kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside (CAS 64280-16-6) is a chemical compound with molecular formula C32H54O13 and molecular weight 646.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6R,9S,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]oxane-3,4,5-triol
Also Known As: Kaurane-glup-glup, Thc-11-oic acid, Kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside, 17-(Hexopyranosyloxy)-16-hydroxykauran-3-yl hexopyranoside, beta-D-Glucopyranoside, (3alpha)-16-hydroxykaurane-3,17-diyl bis-
| Molecular Formula | C32H54O13 |
|---|---|
| Molecular Weight | 646.36 g/mol |
| LogP | -1.2382 |
| Topological Polar Surface Area | 218.99 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 646.35645 |
| Heavy Atoms | 45 |
| Complexity | 1058.0834 |
Chemical Identifiers
| CAS Number | 64280-16-6 |
|---|---|
| SMILES | C[C@@]12CC[C@H](C([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
Product Overview
kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside (CAS 64280-16-6), with molecular formula C32H54O13 and molecular weight 646.36 g/mol. IUPAC: (2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(1S,4S,6R,9S,10R,13R,14R)-14-hydroxy-5,5,9-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]oxane-3,4,5-triol.
Chemical Property Profile of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside
Property Insights of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside
The XLogP value of -1.2382 indicates that kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.99 Ų indicates high polarity, suggesting kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside has 9 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 kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside?
The CAS number of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside is 64280-16-6.
What is the molecular formula of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside?
The molecular formula of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside is C32H54O13.
What is the molecular weight of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside?
The molecular weight of kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside is 646.36 g/mol.
Where can I buy kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside?
You can request a quote for kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for kaurane-3,16,17-triol-3-O-beta-glucopyranosyl-17-O-beta-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.