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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025639

(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Formula: C31H48O6  |  Mol. Weight: 516.70 g/mol

IUPAC: (1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C31H48O6
Molecular Weight 516.70 g/mol
Canonical SMILES CC1C2C3=CC(C4C(C3(CCC2(CCC1=C)C(=O)O)C)(CCC5C4(CC(C(C5(C)CO)O)O)C)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy