For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Rotundioside-B-3
SpectraBase Compound ID FBYepgwx7bg
InChI InChI=1S/C48H78O18/c1-43(2)14-16-48(17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(51)44(3,4)27(45)10-13-47(28,46)7)42(60)66-40-37(59)34(56)32(54)26(64-40)21-61-41-38(35(57)31(53)25(20-50)63-41)65-39-36(58)33(55)30(52)24(19-49)62-39/h8,23-41,49-59H,9-21H2,1-7H3/t23?,24-,25-,26-,27?,28?,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41-,45+,46-,47-,48+/m1/s1
InChIKey ASZPBNMFJLYXDL-QWDODFKXSA-N
Mol Weight 943.1 g/mol
Molecular Formula C48H78O18
Exact Mass 942.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LHfS8aAUc4K
Name ROTUNDIOSIDE-B-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H78O18
InChI InChI=1S/C48H78O18/c1-43(2)14-16-48(17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(51)44(3,4)27(45)10-13-47(28,46)7)42(60)66-40-37(59)34(56)32(54)26(64-40)21-61-41-38(35(57)31(53)25(20-50)63-41)65-39-36(58)33(55)30(52)24(19-49)62-39/h8,23-41,49-59H,9-21H2,1-7H3/t23?,24-,25-,26-,27?,28?,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41-,45+,46-,47-,48+/m1/s1
InChIKey ASZPBNMFJLYXDL-QWDODFKXSA-N
Literature Reference Author E.AKAI,T.TAKEDO,Y.KOBAYASHI,Y.OGIHARA
Literature Reference Citation CHEM.PHARM.BULL.,33,3715(1985)
Literature Reference DOI 10.1248/cpb.33.3715
Molecular Weight 943.137 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK606