Products 60687-07-2

CAS 60687-07-2 is the registry number for Secalonic acid F. Offered by: Chemat. Available pack sizes: 1mg.

Secalonic acid F
Chemat
  • size: 1mg
  • Variants: 1
from 755.53
View product
Structural formula: {0} (CAS {1})

Secalonic acid F is a member of xanthenes.

Source: ChEBI

Identity
Molecular formulaC32H30O14
Molecular weight638.6 g/mol
IUPAC namemethyl (3S,4S,4aR)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
InChIKeyNFZJAYYORNVZNI-XIBZLVKHSA-N
SMILESC[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@H]([C@H](CC(=O)C6=C5O)C)O)C(=O)OC)O)O[C@]2([C@@H]1O)C(=O)OC)O

Computed by PubChem (NCBI)

Synonyms: Secalonic acid F
Related forms of this compound
methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate C32H30O14
Isomers (same molecular formula)
4-O-[2-[4-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxycarbonyl]benzoyl]oxyethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate C32H30O14
methyl (4R,4aR)-7-[(5R,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate C32H30O14
methyl (3S,4R,4aR)-5-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate C32H30O14