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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007877

Olean-12-en-28-oic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, [3I(2)(Z)]-

Formula: C41H58O5  |  Mol. Weight: 630.90 g/mol

IUPAC: methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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Overview

Molecular Formula C41H58O5
Molecular Weight 630.90 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)OC)C)C)C2C1)C)C(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy