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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013585

(E,6S)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol

Formula: C30H52O8  |  Mol. Weight: 540.70 g/mol

IUPAC: (E,6S)-6-[(2R,5S)-5-[(2R,5R)-5-[(2S,5R)-5-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol

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Overview

Molecular Formula C30H52O8
Molecular Weight 540.70 g/mol
Canonical SMILES CC1(CCC(O1)C(C)(CC=CC(C)(C)O)O)C2CCC(O2)C3(CCC(O3)C(C)(CC=CC(C)(C)OO)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy