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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007010

[(1S,2R,3R,5R)-3-[(E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoyl]oxy-5-[(2S)-1-[(E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoyl]oxy-3-hydroxypropan-2-yl]-2-methylcyclopentyl]methyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate

Formula: C37H50O13  |  Mol. Weight: 702.80 g/mol

IUPAC: [(1S,2R,3R,5R)-3-[(E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoyl]oxy-5-[(2S)-1-[(E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoyl]oxy-3-hydroxypropan-2-yl]-2-methylcyclopentyl]methyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate

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Overview

Molecular Formula C37H50O13
Molecular Weight 702.80 g/mol
Canonical SMILES CC=C(C=O)C(CC=O)CC(=O)OCC1C(C(CC1C(CO)COC(=O)CC(CC=O)C(=CC)C=O)OC(=O)CC(CC=O)C(=CC)C=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy