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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012696

methyl (1R,3R,4R,7S,8S,11R,12S,13S,15S,16S,18R)-13-acetyloxy-3,7,12-trimethyl-4-[(2R)-6-methyl-5-methylideneheptan-2-yl]-19-oxahexacyclo[13.3.1.03,7.08,18.011,16.016,18]nonadecane-12-carboxylate

Formula: C34H52O5  |  Mol. Weight: 540.80 g/mol

IUPAC: methyl (1R,3R,4R,7S,8S,11R,12S,13S,15S,16S,18R)-13-acetyloxy-3,7,12-trimethyl-4-[(2R)-6-methyl-5-methylideneheptan-2-yl]-19-oxahexacyclo[13.3.1.03,7.08,18.011,16.016,18]nonadecane-12-carboxylate

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Overview

Molecular Formula C34H52O5
Molecular Weight 540.80 g/mol
Canonical SMILES CC(C)C(=C)CCC(C)C1CCC2(C1(CC3C45C2CCC6C4(C5)C(O3)CC(C6(C)C(=O)OC)OC(=O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy