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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000411

(4aS,6aR,6bR,8aR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

Formula: C32H50O6  |  Mol. Weight: 530.70 g/mol

IUPAC: (4aS,6aR,6bR,8aR,9R,10S,12aS,13R,14aS,14bS)-10-acetyloxy-13-hydroxy-9-(hydroxymethyl)-2,2,6b,9,12a,14a-hexamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C32H50O6
Molecular Weight 530.70 g/mol
Canonical SMILES CC(=O)OC1CCC2(C(C1(C)CO)CCC3(C2C(CC4(C3=CCC5(C4CC(CC5)(C)C)C(=O)O)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy