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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031517

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

Formula: C40H54O7  |  Mol. Weight: 646.90 g/mol

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

Overview

Molecular Formula C40H54O7
Molecular Weight 646.90 g/mol
Canonical SMILES CC1(CCC2(CC=C3C4(CCC5C(C(CC(=O)C5(C4CCC3(C2C1)C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)(C)C)C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy