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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028071

(E,6R)-6-[(1'S,3R,6S,7S,7aS)-7-(2-carboxyethyl)-1',7-dimethyl-3'-methylidene-6-prop-1-en-2-ylspiro[2,5,6,7a-tetrahydro-1H-indene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohept-2-enoic acid

Formula: C30H42O5  |  Mol. Weight: 482.60 g/mol

IUPAC: (E,6R)-6-[(1'S,3R,6S,7S,7aS)-7-(2-carboxyethyl)-1',7-dimethyl-3'-methylidene-6-prop-1-en-2-ylspiro[2,5,6,7a-tetrahydro-1H-indene-3,2'-cyclopentane]-1'-yl]-2-methyl-4-oxohept-2-enoic acid

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Overview

Molecular Formula C30H42O5
Molecular Weight 482.60 g/mol
Canonical SMILES CC(CC(=O)C=C(C)C(=O)O)C1(CCC(=C)C12CCC3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy