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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039343

methyl (3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoate

Formula: C29H38O12  |  Mol. Weight: 578.60 g/mol

IUPAC: methyl (3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-[(2S)-2-hydroxy-5-oxo-2H-furan-4-yl]-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoate

Overview

Molecular Formula C29H38O12
Molecular Weight 578.60 g/mol
Canonical SMILES CC(=O)OC(CC(=O)OC)C1(C2CCC3(C(OC(=O)C4C3(C2(C(=O)CC1C(C)(C)O)C)O4)C5=CC(OC5=O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy