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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034510

(1S,2R,4aS,6aR,6aR,6bR,7S,8aR,10R,11R,12aS,13R,14bS)-7,10,11-trihydroxy-13-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Formula: C31H50O6  |  Mol. Weight: 518.70 g/mol

IUPAC: (1S,2R,4aS,6aR,6aR,6bR,7S,8aR,10R,11R,12aS,13R,14bS)-7,10,11-trihydroxy-13-methoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

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Overview

Molecular Formula C31H50O6
Molecular Weight 518.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CC(C4C3(C(CC5C4(CC(C(C5(C)C)O)O)C)O)C)OC)C2C1C)C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy