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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000064

Cimicifugoside H-4

Formula: C32H48O9  |  Mol. Weight: 576.70 g/mol

IUPAC: (1S,2S,4R,5R,6R,9R,10R,12R,16R,18S,21R)-2,9,10-trihydroxy-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyhexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-8-one

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Overview

Molecular Formula C32H48O9
Molecular Weight 576.70 g/mol
Canonical SMILES CC1CC(=O)C(C2(C1C3(CC(C45CC46CCC(C(C6CC=C5C3(C2)C)(C)C)OC7C(C(C(CO7)O)O)O)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy