rebaudioside B
Chemical Formula:
C38H59O18
Molecular Weight:
803.873 Daltons
Monoisotopic Mass:
804.3779651238001 Daltons
SMILES:
C=C1(CC57(CC1(OC4(OC(C(O)C(OC2(C(O)C(C(O)C(CO)O2)O))C(OC3(C(O)C(CO)OC(C(O)3)O))4)CO))CC[CH](C6(C)(CCCC(C([O-])=O)(C)[CH](CC5)6))7))
InChI:
1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(54-28-23(43)18(13-40)51-31(48)27(28)47)29(24(44)19(14-41)53-33)55-32-26(46)25(45)22(42)17(12-39)52-32/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/p-1/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26-,27-,28+,29+,30-,31-,32+,33+,35-,36-,37-,38+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14507
CAS:
58543-17-2
HMDB:
HMDB34949
MetaNetX:
MNXM97604