γ-tomatine
Chemical Formula:
C39H65NO12
Molecular Weight:
739.942 Daltons
Monoisotopic Mass:
739.4506765569 Daltons
SMILES:
CC8(CCC1(O[CH]7([CH](C(C)1)C6(C)([CH]([CH]5([CH](C4(C)([CH](CC(OC3(OC(CO)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)C(O)3))CC4)CC5))CC6))C7)))(NC8))
InChI:
1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18640
PubChem (CID):
57341159
MetaNetX:
MNXM521830