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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018828

methyl (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoate

Formula: C40H70O11  |  Mol. Weight: 727.00 g/mol

IUPAC: methyl (2E,4E,7S)-7-hydroxy-4-methyl-8-[(2S,6R)-2-[(2S,3S,4S,6R,7S,8S,9S,10S,11S)-4,6,8,10-tetrahydroxy-2-methoxy-13-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-3,7,9,11-tetramethyltridecyl]-3,6-dihydro-2H-pyran-6-yl]octa-2,4-dienoate

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Overview

Molecular Formula C40H70O11
Molecular Weight 727.00 g/mol
Canonical SMILES CC1CC(CC(O1)CCC(C)C(C(C)C(C(C)C(CC(C(C)C(CC2CC=CC(O2)CC(CC=C(C)C=CC(=O)OC)O)OC)O)O)O)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy