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(22S)-16-ALPHA,20,22,25-TETRAHYDROXY-3-ALPHA-(2-O-ALPHA-L-RHAMNOPYRANOSYL-BETA-D-GLUCOPYRANOSYLOXY)-(10-ALPHA)-CUCURBITA-5,23T-DIEN-11-ONE
SpectraBase Compound ID 75tNY412vGb
InChI InChI=1S/C42H68O15/c1-19-28(47)30(49)32(51)35(54-19)57-33-31(50)29(48)23(18-43)55-36(33)56-27-13-11-21-20(38(27,4)5)10-12-24-39(6)16-22(44)34(40(39,7)17-26(46)41(21,24)8)42(9,53)25(45)14-15-37(2,3)52/h10,14-15,19,21-25,27-36,43-45,47-53H,11-13,16-18H2,1-9H3/b15-14+/t19-,21+,22+,23+,24-,25-,27+,28-,29+,30+,31-,32+,33+,34-,35-,36-,39-,40+,41-,42?/m0/s1
InChIKey JJNGJQDTXWNKKW-YMIUTHFWSA-N
Mol Weight 813.0 g/mol
Molecular Formula C42H68O15
Exact Mass 812.455821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RAY5mZs4uX
Name (22S)-16-ALPHA,20,22,25-TETRAHYDROXY-3-ALPHA-(2-O-ALPHA-L-RHAMNOPYRANOSYL-BETA-D-GLUCOPYRANOSYLOXY)-(10-ALPHA)-CUCURBITA-5,23T-DIEN-11-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H68O15
InChI InChI=1S/C42H68O15/c1-19-28(47)30(49)32(51)35(54-19)57-33-31(50)29(48)23(18-43)55-36(33)56-27-13-11-21-20(38(27,4)5)10-12-24-39(6)16-22(44)34(40(39,7)17-26(46)41(21,24)8)42(9,53)25(45)14-15-37(2,3)52/h10,14-15,19,21-25,27-36,43-45,47-53H,11-13,16-18H2,1-9H3/b15-14+/t19-,21+,22+,23+,24-,25-,27+,28-,29+,30+,31-,32+,33+,34-,35-,36-,39-,40+,41-,42?/m0/s1
InChIKey JJNGJQDTXWNKKW-YMIUTHFWSA-N
Literature Reference Author H.ACHENBACH,K.HORN,X.A.DOMINGUEZ,C.ROMBOLD,E.G.G.LOPEZ
Literature Reference Citation PHYTOCHEM.,33,437(1993)
Literature Reference DOI 10.1016/0031-9422(93)85535-Y
Molecular Weight 812.993 g/mol
Solvent CD3OD
Source File Reference UWVN6410