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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011316

(1R,4aS,6aS,6aS,6bR,8aR,9S,10R,11R,12R,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-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: C30H46O6  |  Mol. Weight: 502.70 g/mol

IUPAC: (1R,4aS,6aS,6aS,6bR,8aR,9S,10R,11R,12R,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-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

Overview

Molecular Formula C30H46O6
Molecular Weight 502.70 g/mol
Canonical SMILES CC1C2C3=CCC4C(C3(CCC2(CCC1=C)C(=O)O)C)(CCC5C4(C(C(C(C5(C)CO)O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy