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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031395

(4aS,6aS,6bR,8aS,10S,12S,12aR,14aS,14bS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

Formula: C39H54O6  |  Mol. Weight: 618.80 g/mol

IUPAC: (4aS,6aS,6bR,8aS,10S,12S,12aR,14aS,14bS)-12-hydroxy-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C39H54O6
Molecular Weight 618.80 g/mol
Canonical SMILES CC1(CCC2(CC=C3C4(CCC5C(C(CC(C5(C4CCC3(C2C1)C)C)O)OC(=O)C=CC6=CC=C(C=C6)O)(C)C)C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy