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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025879

(3R,4R,6aS,6bR,8S,8aS,12aR,14bS)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Formula: C41H64O15  |  Mol. Weight: 796.90 g/mol

IUPAC: (3R,4R,6aS,6bR,8S,8aS,12aR,14bS)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

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Overview

Molecular Formula C41H64O15
Molecular Weight 796.90 g/mol
Canonical SMILES CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)O)OC6C(C(C(CO6)O)O)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy