Elatoside B
TL;DR: Elatoside B (CAS 156856-38-1) is a chemical compound with molecular formula C48H76O19 and molecular weight 956.4981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
Also Known As: Elatoside B, (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-3-hydroxy-4,5-bis(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-4,5-bis({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid, 28-Hydroxy-28-oxoolean-12-en-3beta-yl 2-O,3-O-bis(beta-D-galactopyranosyl)-beta-D-glucopyranosiduronic acid
Technical Specifications
| Molecular Formula | C48H76O19 |
| Molecular Weight | 956.4981 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 312.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 956.4981 Da |
| Heavy Atoms | 67 |
| Complexity | 1880.0 |
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O |
| InChIKey | YDZWHGJRWMQCDP-RPZIOYONSA-N |
Chemical Property Profile of Elatoside B
Property Insights of Elatoside B
The XLogP value of 3.0 indicates that Elatoside B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 312.0 Ų indicates high polarity, suggesting Elatoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elatoside B has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Elatoside B?
The CAS number of Elatoside B is 156856-38-1.
What is the molecular formula of Elatoside B?
The molecular formula of Elatoside B is C48H76O19.
What is the molecular weight of Elatoside B?
The molecular weight of Elatoside B is 956.4981 g/mol.
Where can I buy Elatoside B?
You can request a quote for Elatoside B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Elatoside B?
Yes, CoreyChem provides custom synthesis services for Elatoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.