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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037508

12beta-Acetoxycimigenol

Formula: C32H50O7  |  Mol. Weight: 546.70 g/mol

IUPAC: [(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2,9-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-16-yl] acetate

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Overview

Molecular Formula C32H50O7
Molecular Weight 546.70 g/mol
Canonical SMILES CC1CC2C(OC3(C1C4(C(CC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)O)OC(=O)C)C)O2)C(C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy