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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002929

(1S,4R,5R,10S,12S,13S,16R,21R)-8-(3-hydroxy-3-methylbutan-2-yl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one

Formula: C31H50O3  |  Mol. Weight: 470.70 g/mol

IUPAC: (1S,4R,5R,10S,12S,13S,16R,21R)-8-(3-hydroxy-3-methylbutan-2-yl)-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one

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Overview

Molecular Formula C31H50O3
Molecular Weight 470.70 g/mol
Canonical SMILES CC1CC(OC2C1C3(CCC45CC46CCC(=O)C(C6CCC5C3(C2)C)(C)C)C)C(C)C(C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy