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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000954

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

Formula: C30H46O7  |  Mol. Weight: 518.70 g/mol

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

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Overview

Molecular Formula C30H46O7
Molecular Weight 518.70 g/mol
Canonical SMILES CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy