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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016767

[(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-octadec-9-enoate

Formula: C40H62O7  |  Mol. Weight: 654.90 g/mol

IUPAC: [(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (Z)-octadec-9-enoate

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Overview

Molecular Formula C40H62O7
Molecular Weight 654.90 g/mol
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)COC(=O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy