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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034544

(2Z)-2-[(1R,3S,5R,6S,10R)-6-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-10-(3-hydroxypropyl)-1-methoxy-6-methyl-2-oxaspiro[4.5]decan-9-ylidene]propanal

Formula: C31H48O6  |  Mol. Weight: 516.70 g/mol

IUPAC: (2Z)-2-[(1R,3S,5R,6S,10R)-6-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-10-(3-hydroxypropyl)-1-methoxy-6-methyl-2-oxaspiro[4.5]decan-9-ylidene]propanal

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Overview

Molecular Formula C31H48O6
Molecular Weight 516.70 g/mol
Canonical SMILES CC(=C)C1CCC(C1C=CC(=CC2CC3(C(C(=C(C)C=O)CCC3(C)O)CCCO)C(O2)OC)C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy