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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017480

Dichapetalin I

Formula: C38H50O6  |  Mol. Weight: 602.80 g/mol

IUPAC: (3S,5R)-3-[(1R,2R,3R,5R,6R,9S,14S,15R,17R,18S,19S)-3,17-dihydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docos-11-en-19-yl]-5-[(E)-3-hydroxy-2-methylprop-1-enyl]oxolan-2-one

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Overview

Molecular Formula C38H50O6
Molecular Weight 602.80 g/mol
Canonical SMILES CC(=CC1CC(C(=O)O1)C2CCC34C2(C3)C(CC5C4(C(CC6C5(CC=C7C6(COC(C7)C8=CC=CC=C8)C)C)O)C)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy