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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034422

secoorthosiphol B

Formula: C30H38O10  |  Mol. Weight: 558.60 g/mol

IUPAC: 2-[(1S,2R,4R,4aR,6R,8R,8aS)-4-acetyloxy-8-benzoyloxy-6-ethenyl-4a-hydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,6-dimethyl-5-oxo-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid

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Overview

Molecular Formula C30H38O10
Molecular Weight 558.60 g/mol
Canonical SMILES CC(=O)OC1CC(C(C2C1(C(=O)C(CC2OC(=O)C3=CC=CC=C3)(C)C=C)O)(C)CC(=O)O)C(C)(C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy