Products 1623410-12-7

CAS 1623410-12-7 is the registry number for Baccatin IX. Offered by: TargetMol, Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg, Get quote.

Baccatin IX
TargetMol, Biosynth, MedChemExpress
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 7
from 29964.51
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Structural formula: {0} (CAS {1})

(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 (CAS 1623410-12-7) is a chemical compound with the molecular formula C31H40O12 and a molecular weight of 604.6 g/mol. IUPAC name: (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. InChIKey: YFNJMSUUYCXOBD-UHFFFAOYSA-N.

Identity
Molecular formulaC31H40O12
Molecular weight604.6 g/mol
IUPAC name(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
InChIKeyYFNJMSUUYCXOBD-UHFFFAOYSA-N
SMILESCC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(C(C1O)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Baccatin IX
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
[(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 C31H40O12