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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014791

[(1S,4aS,4bR,6S,6aS,7S,8S,9S,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-formyl-9-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,8,9,10,10a,11,12,12a-tetradecahydrochrysen-6-yl] acetate

Formula: C29H46O5  |  Mol. Weight: 474.70 g/mol

IUPAC: [(1S,4aS,4bR,6S,6aS,7S,8S,9S,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-formyl-9-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,8,9,10,10a,11,12,12a-tetradecahydrochrysen-6-yl] acetate

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Overview

Molecular Formula C29H46O5
Molecular Weight 474.70 g/mol
Canonical SMILES CCC1(CCCC2(C1CCC3(C2CC(C4(C3CC(C(C4C=O)C(=O)C)O)C)OC(=O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy