Products 301845-97-6

CAS 301845-97-6 appears in our catalog under these names: Simocyclinone D8, 97.00%, Simocyclinone D8. Offered by: Chemat, MedChemExpress. Available pack sizes: 1mg, Get quote.

Simocyclinone D8, 97.00%
Chemat
  • size: 1mg
  • Variants: 1
from 797.37
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Simocyclinone D8
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

Simocyclinone D8 is a hydroxycoumarin.

Source: ChEBI

Identity
Molecular formulaC46H42ClNO18
Molecular weight932.3 g/mol
IUPAC name[(2R,3R,4R,6R)-3-acetyloxy-2-methyl-6-(2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-4,12(17),13,15-tetraen-14-yl)oxan-4-yl] (2E,4E,6E,8E)-10-[(8-chloro-4,7-dihydroxy-2-oxochromen-3-yl)amino]-10-oxodeca-2,4,6,8-tetraenoate
InChIKeyPLEGMCYXNQPJNV-TYXWGSLYSA-N
SMILESC[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C45C(C3O)(O4)C(CC6(C5(C(=O)C=C(C6)C)O)O)O)O)OC(=O)/C=C/C=C/C=C/C=C/C(=O)NC7=C(C8=C(C(=C(C=C8)O)Cl)OC7=O)O)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Simocyclinone D8