Grisorixin
Molecular Formula:
C40H68O10
InChI: InChI=1/C40H68O10/c1-21-12-13-28(45-33(21)26(6)36(41)42)18-29-19-30(44-11)27(7)40(47-29)25(5)20-38(9,50-40)32-14-15-37(8,48-32)35-23(3)17-31(46-35)34-22(2)16-24(4)39(10,43)49-34/h21-35,43H,12-20H2,1-11H3,(H,41,42)/t21-,22-,23-,24+,25u,26u,27-,28+,29+,30+,31+,32?,33?,34-,35?,37u,38u,39-,40+/m0/s1/f/h41H
InChIKey: InChIKey=ZITSQIZMRMDQLE-JJDJSEDADZ
SMILES: CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(C)O)C)C)C)C)C)OC
Names:
Desoxynigericin
Grisorixine
Grisorixin
NIGERICIN, 30-DEOXY-
2-[(3S,6R)-6-[[(5R,7S,9R,10R)-2-[5-[(3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-9-methoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl]-3-methyl-oxan-2-yl]propanoic acid
30-Deoxynigericin
31357-58-1
Registries:
PubChem CID 35776
PubChem ID 177390
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