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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020401

Daturaolone

Formula: C30H48O2  |  Mol. Weight: 440.70 g/mol

IUPAC: (4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

Overview

Molecular Formula C30H48O2
Molecular Weight 440.70 g/mol
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy