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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013084

Nigranoic acid

Formula: C30H46O4  |  Mol. Weight: 470.70 g/mol

IUPAC: (Z,6R)-6-[(1S,4R,5R,8S,9S,12S,13R)-13-(2-carboxyethyl)-4,8-dimethyl-12-prop-1-en-2-yl-5-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]-2-methylhept-2-enoic acid

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Overview

Molecular Formula C30H46O4
Molecular Weight 470.70 g/mol
Canonical SMILES CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy