John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3gYWkuogpHI SpectraBase Spectrum ID=2afYzIOS064

(accessed ).
VERNOANTHELOSIDE-B;(3S,5S,10S,13R,16R,17S,20S,21S,22R,23S,24S)-16,22;21,23-DIEPOXY-21,24-DIHYDROXY-3-O-BETA-D-GLUCOSTIGMASTA-8,14-DIEN-28-ONE
SpectraBase Compound ID 3gYWkuogpHI
InChI InChI=1S/C35H52O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-32,36,38-42H,6-12,14H2,1-5H3/t17-,18-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+/m0/s1
InChIKey IUAADJZSNKQVBP-OHKOIOHYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C35H52O11
Exact Mass 648.350963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2afYzIOS064
Name VERNOANTHELOSIDE-B;(3S,5S,10S,13R,16R,17S,20S,21S,22R,23S,24S)-16,22;21,23-DIEPOXY-21,24-DIHYDROXY-3-O-BETA-D-GLUCOSTIGMASTA-8,14-DIEN-28-ONE
Compound Number 11
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O11
InChI InChI=1S/C35H52O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-32,36,38-42H,6-12,14H2,1-5H3/t17-,18-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+/m0/s1
InChIKey IUAADJZSNKQVBP-OHKOIOHYSA-N
Literature Reference Author L.HUA,W.Y.QI,S.H.HUSSAIN,K.GAO,M.ARFAN
Literature Reference Citation STEROIDS,77,811(2012)
Literature Reference DOI 10.1016/j.steroids.2012.03.003
Molecular Weight 648.791 g/mol
Sample ID 70629
Solvent CDCl3:CD3OD=1:1
SpectraBase Batch ID 3yHArcerPqs