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6-DESACETYL-12-BETA-HYDROXY-SCILLIROSIDE;6-DESACETYL-12-BETA-HYDROXY-SCILLIROSIDIN-3-O-BETA-D-GLUCOSIDE
SpectraBase Compound ID 84fZsxmZZ0z
InChI InChI=1S/C30H42O12/c1-27-7-5-15(41-26-25(37)24(36)23(35)19(12-31)42-26)9-17(27)18(32)11-29(38)20(27)10-21(33)28(2)16(6-8-30(28,29)39)14-3-4-22(34)40-13-14/h3-4,9,13,15-16,18-21,23-26,31-33,35-39H,5-8,10-12H2,1-2H3/t15-,16?,18+,19+,20+,21+,23+,24-,25+,26+,27-,28-,29-,30+/m0/s1
InChIKey VNBMZYMOCSKNSW-OQNNGUNBSA-N
Mol Weight 594.7 g/mol
Molecular Formula C30H42O12
Exact Mass 594.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcoIVTMVVTE
Name 6-DESACETYL-12-BETA-HYDROXY-SCILLIROSIDE;6-DESACETYL-12-BETA-HYDROXY-SCILLIROSIDIN-3-O-BETA-D-GLUCOSIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O12
InChI InChI=1S/C30H42O12/c1-27-7-5-15(41-26-25(37)24(36)23(35)19(12-31)42-26)9-17(27)18(32)11-29(38)20(27)10-21(33)28(2)16(6-8-30(28,29)39)14-3-4-22(34)40-13-14/h3-4,9,13,15-16,18-21,23-26,31-33,35-39H,5-8,10-12H2,1-2H3/t15-,16?,18+,19+,20+,21+,23+,24-,25+,26+,27-,28-,29-,30+/m0/s1
InChIKey VNBMZYMOCSKNSW-OQNNGUNBSA-N
Literature Reference Author B.KOPP,L.KRENN,M.DRAXLER,A.HOYER,R.TERKOLA,P.VALLASTER,W.ROB IEN
Literature Reference Citation PHYTOCHEM.,42,513(1996)
Literature Reference DOI 10.1016/0031-9422(95)00876-4
Molecular Weight 594.656 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWLU3383