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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005809

[(1S,2R,5S,10S,14R,15S)-14-[(2R)-7-formyloxy-6-methylheptan-2-yl]-2,15-dimethyl-5-tricyclo[8.7.0.02,7]heptadec-7-enyl] (11E,13E)-hexadeca-11,13,15-trienoate

Formula: C44H72O4  |  Mol. Weight: 665.00 g/mol

IUPAC: [(1S,2R,5S,10S,14R,15S)-14-[(2R)-7-formyloxy-6-methylheptan-2-yl]-2,15-dimethyl-5-tricyclo[8.7.0.02,7]heptadec-7-enyl] (11E,13E)-hexadeca-11,13,15-trienoate

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Overview

Molecular Formula C44H72O4
Molecular Weight 665.00 g/mol
Canonical SMILES CC1CCC2C(CCCC1C(C)CCCC(C)COC=O)CC=C3C2(CCC(C3)OC(=O)CCCCCCCCCC=CC=CC=C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy