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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038625

(1S,2R,4aS,6aS,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,12a-pentamethyl-1,2,3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid

Formula: C39H54O7  |  Mol. Weight: 634.80 g/mol

IUPAC: (1S,2R,4aS,6aS,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,12a-pentamethyl-1,2,3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C39H54O7
Molecular Weight 634.80 g/mol
Canonical SMILES CC1CCC2(CCC3C(=CCC4C3(CCC5C4(CCC(C5(C)COC(=O)C=CC6=CC(=C(C=C6)O)OC)O)C)C)C2C1C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy