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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009192

(E,1S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

Formula: C30H51BrO6  |  Mol. Weight: 587.60 g/mol

IUPAC: (E,1S)-4-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-3-en-1-ol

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Overview

Molecular Formula C30H51BrO6
Molecular Weight 587.60 g/mol
Canonical SMILES CC(=CCC(C1(CCC(O1)C(C)(C)O)C)O)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy