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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035235

methyl (2S)-2-hydroxy-2-[(1S,3R,4R,5S,7S,8S,9S,10S,11S,12S,16R)-4,5,10-triacetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate

Formula: C33H42O14  |  Mol. Weight: 662.70 g/mol

IUPAC: methyl (2S)-2-hydroxy-2-[(1S,3R,4R,5S,7S,8S,9S,10S,11S,12S,16R)-4,5,10-triacetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]acetate

Overview

Molecular Formula C33H42O14
Molecular Weight 662.70 g/mol
Canonical SMILES CC1C(=O)C2C(C3(C1(CC(=O)OC3C4=COC=C4)OC5C2(C(C(C(C5OC(=O)C)OC(=O)C)(C)C)C(C(=O)OC)O)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy