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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038673

(3S,5R,9R,10R,13S,14S,17S)-17-[(1S)-1-[(3aS,6aS)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Formula: C33H54O4  |  Mol. Weight: 514.80 g/mol

IUPAC: (3S,5R,9R,10R,13S,14S,17S)-17-[(1S)-1-[(3aS,6aS)-2,2,4,4-tetramethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]ethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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Overview

Molecular Formula C33H54O4
Molecular Weight 514.80 g/mol
Canonical SMILES CC(C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)C5C6C(C(O5)(C)C)OC(O6)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy