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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006552

(E)-6-[(1'S,3S,6R,7S,7aS)-7-(3-methoxy-3-oxopropyl)-1'-methyl-3'-methylidene-6-prop-1-en-2-ylspiro[1,2,5,6,7,7a-hexahydroindene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohex-2-enoic acid

Formula: C29H40O5  |  Mol. Weight: 468.60 g/mol

IUPAC: (E)-6-[(1'S,3S,6R,7S,7aS)-7-(3-methoxy-3-oxopropyl)-1'-methyl-3'-methylidene-6-prop-1-en-2-ylspiro[1,2,5,6,7,7a-hexahydroindene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohex-2-enoic acid

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Overview

Molecular Formula C29H40O5
Molecular Weight 468.60 g/mol
Canonical SMILES CC(=C)C1CC=C2C(C1CCC(=O)OC)CCC23C(=C)CCC3(C)CCC(=O)C=C(C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy