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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009554

[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate

Formula: C39H54O5  |  Mol. Weight: 602.80 g/mol

IUPAC: [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C39H54O5
Molecular Weight 602.80 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC(=CC(=C6)O)O)C)C)C2C1)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy