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CANNOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE
SpectraBase Compound ID 6FIDDVVFcuP
InChI InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m0/s1
InChIKey WPNLWBRKPZXVGD-CSGSTXOPSA-N
Mol Weight 873.0 g/mol
Molecular Formula C42H64O19
Exact Mass 872.40418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3w5rZmTbcls
Name CANNOGENIN-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O19
InChI InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,26-,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m0/s1
InChIKey WPNLWBRKPZXVGD-CSGSTXOPSA-N
Literature Reference Author F.ABE,T.YAMAUCHI,S.YAHARA,T.NOHARA
Literature Reference Citation PHYTOCHEM.,37,1429(1994)
Literature Reference DOI 10.1016/S0031-9422(00)90426-6
Molecular Weight 872.959 g/mol
Solvent C5D5N
Source File Reference UWMS23612