John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BVyJNPs8npb SpectraBase Spectrum ID=Bw0XjVl8Gy2

(accessed ).
JASPOGERANOSIDE-A
SpectraBase Compound ID BVyJNPs8npb
InChI InChI=1S/C44H62O22/c1-7-23-25(27(39(55)57-5)19-61-41(23)65-43-37(53)35(51)33(49)29(16-45)63-43)14-31(47)59-13-12-21(3)10-9-11-22(4)18-60-32(48)15-26-24(8-2)42(62-20-28(26)40(56)58-6)66-44-38(54)36(52)34(50)30(17-46)64-44/h7-8,11-12,19-20,25-26,29-30,33-38,41-46,49-54H,9-10,13-18H2,1-6H3/b21-12+,22-11+,23-7+,24-8+/t25-,26-,29-,30-,33-,34-,35+,36+,37-,38-,41-,42-,43+,44+/m0/s1
InChIKey DBMWETASGYLMPS-HDHRINTFSA-N
Mol Weight 943.0 g/mol
Molecular Formula C44H62O22
Exact Mass 942.373274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bw0XjVl8Gy2
Name JASPOGERANOSIDE-A
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H62O22
InChI InChI=1S/C44H62O22/c1-7-23-25(27(39(55)57-5)19-61-41(23)65-43-37(53)35(51)33(49)29(16-45)63-43)14-31(47)59-13-12-21(3)10-9-11-22(4)18-60-32(48)15-26-24(8-2)42(62-20-28(26)40(56)58-6)66-44-38(54)36(52)34(50)30(17-46)64-44/h7-8,11-12,19-20,25-26,29-30,33-38,41-46,49-54H,9-10,13-18H2,1-6H3/b21-12+,22-11+,23-7+,24-8+/t25-,26-,29-,30-,33-,34-,35+,36+,37-,38-,41-,42-,43+,44+/m0/s1
InChIKey DBMWETASGYLMPS-HDHRINTFSA-N
Literature Reference Author Y.TAKENAKA,T.TANAHASHI,N.NAGAKURA
Literature Reference Citation CHEM.PHARM.BULL.,46,1776(1998)
Literature Reference DOI 10.1248/cpb.46.1776
Molecular Weight 942.963 g/mol
Solvent CD3OD
Source File Reference UWMS20862
SpectraBase Batch ID 6cCtAWAfeR8