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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001944

(1R,4aS,5S)-5-[(1R,6S)-6-[(E)-4-[(1S,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-2-methylcyclohex-2-en-1-yl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Formula: C39H60O3  |  Mol. Weight: 576.90 g/mol

IUPAC: (1R,4aS,5S)-5-[(1R,6S)-6-[(E)-4-[(1S,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-2-methylcyclohex-2-en-1-yl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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Overview

Molecular Formula C39H60O3
Molecular Weight 576.90 g/mol
Canonical SMILES CC1=CCCC(C1C2C(=C)CCC3C2(CCCC3(C)C(=O)O)C)C(=CCC4C(=C)CCC5C4(CCCC5(C)CO)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy