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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001038

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4bR,8aR,10S)-10-acetyloxy-4b-(acetyloxymethyl)-4-hydroxy-8,8-dimethyl-7-oxo-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate

Formula: C38H50O16  |  Mol. Weight: 762.80 g/mol

IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(4bR,8aR,10S)-10-acetyloxy-4b-(acetyloxymethyl)-4-hydroxy-8,8-dimethyl-7-oxo-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthren-3-yl]oxy]oxan-2-yl]methyl acetate

Overview

Molecular Formula C38H50O16
Molecular Weight 762.80 g/mol
Canonical SMILES CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCC(=O)C3(C)C)COC(=O)C)OC(=O)C)O)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy