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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003971

(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicene-2-carboxylic acid

Formula: C40H54O6  |  Mol. Weight: 630.90 g/mol

IUPAC: (2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicene-2-carboxylic acid

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Overview

Molecular Formula C40H54O6
Molecular Weight 630.90 g/mol
Canonical SMILES CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy