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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011326

Oleoyl neocryptotanshinone

Formula: C37H54O5  |  Mol. Weight: 578.80 g/mol

IUPAC: 2-(1-hydroxy-8,8-dimethyl-3,4-dioxo-6,7-dihydro-5H-phenanthren-2-yl)propyl (Z)-octadec-9-enoate

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Overview

Molecular Formula C37H54O5
Molecular Weight 578.80 g/mol
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy