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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001056

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

Formula: C30H46O6  |  Mol. Weight: 502.70 g/mol

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

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Overview

Molecular Formula C30H46O6
Molecular Weight 502.70 g/mol
Canonical SMILES CC1(CCC2(C(CC3(C(=C2C1)CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C)O)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy