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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031423

(4aS,6aR,6bR,8aR,12aR,14aS,14bS)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,6b,9,9,12a,14a-hexamethyl-10-oxo-3,4,5,6a,7,8,8a,13,14,14b-decahydro-1H-picene-4a-carboxylic acid

Formula: C39H50O6  |  Mol. Weight: 614.80 g/mol

IUPAC: (4aS,6aR,6bR,8aR,12aR,14aS,14bS)-2-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,6b,9,9,12a,14a-hexamethyl-10-oxo-3,4,5,6a,7,8,8a,13,14,14b-decahydro-1H-picene-4a-carboxylic acid

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Overview

Molecular Formula C39H50O6
Molecular Weight 614.80 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(C=CC1=O)C)CCC4(C3=CCC5(C4CC(CC5)(C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy