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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003148

[(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl] (Z)-hexadec-9-enoate

Formula: C46H76O4  |  Mol. Weight: 693.10 g/mol

IUPAC: [(1S,2S,4S,5R,6S,9S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-9-yl] (Z)-hexadec-9-enoate

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Overview

Molecular Formula C46H76O4
Molecular Weight 693.10 g/mol
Canonical SMILES CCCCCCC=CCCCCCCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C4C(O4)C56C3(CCC7(C5CC(CC7)(C)C)CO6)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy