Products 1623069-76-0

CAS 1623069-76-0 is the registry number for Baccatin X. Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 25mg, 10mg, 50mg, Get quote.

Baccatin X
Biosynth, MedChemExpress
  • size: 5mg, 25mg, 10mg, 50mg
  • Variants: 5
View product
Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,11R,12R,15R,16S)-4,12-diacetyloxy-1,2,9,11,15-pentahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-16-yl] benzoate (CAS 1623069-76-0) is a chemical compound with the molecular formula C31H40O12 and a molecular weight of 604.6 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15R,16S)-4,12-diacetyloxy-1,2,9,11,15-pentahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-16-yl] benzoate. InChIKey: QVUHFXGOPHUGGG-GWGORWSESA-N.

Identity
Molecular formulaC31H40O12
Molecular weight604.6 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,11R,12R,15R,16S)-4,12-diacetyloxy-1,2,9,11,15-pentahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-16-yl] benzoate
InChIKeyQVUHFXGOPHUGGG-GWGORWSESA-N
SMILESCC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)([C@H]([C@@H]1O)OC(=O)C5=CC=CC=C5)O)O)(CO4)OC(=O)C)O)C)O)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Baccatin X, orb2299451
Isomers (same molecular formula)
[(1R,2S,3S,5S,8R,9R,10R,11S,13R,16S)-16-acetyloxy-10-(acetyloxymethyl)-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-2-yl] benzoate C31H40O12
(4,12-diacetyloxy-1,9,11,15,16-pentahydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl) benzoate C31H40O12