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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008890

[(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate

Formula: C38H58O4  |  Mol. Weight: 578.90 g/mol

IUPAC: [(1S,4S,12S,13R,16R,17R)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate

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Overview

Molecular Formula C38H58O4
Molecular Weight 578.90 g/mol
Canonical SMILES CCCCCC=CCC=CCCCCCCCC(=O)OCC1(CC23CCC4C5=C(CCC4(C2CCC1C3)C)OC=C5)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy