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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008161

(E)-4-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(E)-2-[2,6-dihydroxy-4-methoxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]ethenyl]but-2-enal

Formula: C36H42O6  |  Mol. Weight: 570.70 g/mol

IUPAC: (E)-4-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]-2-[(E)-2-[2,6-dihydroxy-4-methoxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]ethenyl]but-2-enal

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Overview

Molecular Formula C36H42O6
Molecular Weight 570.70 g/mol
Canonical SMILES CC1(CCCC2(C1CCC3(C2CC=C(C=CC4=C(C(=C(C=C4O)OC)C(=O)C=CC5=CC=CC=C5)O)C=O)CO3)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy