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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017748

acinospesigenin-C

Formula: C31H46O8  |  Mol. Weight: 546.70 g/mol

IUPAC: (2S,4aR,6aR,6aS,6bR,8aR,9S,10R,11S,12aS,13R,14bR)-9-formyl-10,11,13-trihydroxy-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Overview

Molecular Formula C31H46O8
Molecular Weight 546.70 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CC(C4C3(CCC5C4(CC(C(C5(C)C=O)O)O)C)C)O)C2C1)C)C(=O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy