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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016966

(1S,4S,4aR,8aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]methyl]-1-methyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalene-1,8a-diol

Formula: C35H54O3  |  Mol. Weight: 522.80 g/mol

IUPAC: (1S,4S,4aR,8aS)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]methyl]-1-methyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalene-1,8a-diol

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Overview

Molecular Formula C35H54O3
Molecular Weight 522.80 g/mol
Canonical SMILES CC(C)C1CCC(C2(C1C=C(CC2)CC3CC4C(CCCC4(C5=CC(=C(C=C35)C(C)C)O)C)(C)C)O)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy