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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003809

[(1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15R,16R,19S)-10-acetyloxy-5-hydroxy-11,15-dimethyl-16-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate

Formula: C38H54O15  |  Mol. Weight: 750.80 g/mol

IUPAC: [(1S,2S,4S,5R,7S,9S,10R,11S,12S,14S,15R,16R,19S)-10-acetyloxy-5-hydroxy-11,15-dimethyl-16-[(1S)-1-[(2R)-4-methyl-6-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-3,8-dioxahexacyclo[10.7.0.02,4.05,11.07,9.015,19]nonadecan-14-yl] acetate

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Overview

Molecular Formula C38H54O15
Molecular Weight 750.80 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(C(CC4C3C5C(O5)C6(C4(C(C7C(C6)O7)OC(=O)C)C)O)OC(=O)C)C)COC8C(C(C(C(O8)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy