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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004294

[(3S,5S,8R,16S,22R,24S)-10,22-dihydroxy-12,19-bis(2-hydroxypropan-2-yl)-4,4,8,25,25-pentamethyl-11-oxo-2,17-dioxaheptacyclo[16.13.0.03,8.03,16.09,14.021,31.024,29]hentriaconta-1(31),9,12,14,18,20,28-heptaen-5-yl] acetate

Formula: C42H54O9  |  Mol. Weight: 702.90 g/mol

IUPAC: [(3S,5S,8R,16S,22R,24S)-10,22-dihydroxy-12,19-bis(2-hydroxypropan-2-yl)-4,4,8,25,25-pentamethyl-11-oxo-2,17-dioxaheptacyclo[16.13.0.03,8.03,16.09,14.021,31.024,29]hentriaconta-1(31),9,12,14,18,20,28-heptaen-5-yl] acetate

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Overview

Molecular Formula C42H54O9
Molecular Weight 702.90 g/mol
Canonical SMILES CC(=O)OC1CCC2(C3=C(C(=O)C(=CC3=CC4C2(C1(C)C)OC5=C6CC7=CCCC(C7CC(C6=CC(=C5O4)C(C)(C)O)O)(C)C)C(C)(C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy