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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009240

(2S,3S,4R,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Formula: C40H62O13  |  Mol. Weight: 750.90 g/mol

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

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Overview

Molecular Formula C40H62O13
Molecular Weight 750.90 g/mol
Canonical SMILES CC1(CCC2C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2=O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(CO7)O)O)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy