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15,20-EPOXY-2-ALPHA,3-BETA-DIHYDROXY-14,15-SECO-PREGNA-5,15(16),17(20)-TRIEN-14-ONE-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)-BETA-D-CYM

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15,20-EPOXY-2-ALPHA,3-BETA-DIHYDROXY-14,15-SECO-PREGNA-5,15(16),17(20)-TRIEN-14-ONE-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)-BETA-D-CYM
SpectraBase Compound ID 4AbDOyf2l9M
InChI InChI=1S/C42H64O13/c1-21-27(13-15-49-21)41(5)14-12-28-26(40(41)45)11-10-25-16-30(29(43)20-42(25,28)6)53-34-18-32(47-8)38(23(3)51-34)55-36-19-33(48-9)39(24(4)52-36)54-35-17-31(46-7)37(44)22(2)50-35/h10,13,15,22-24,26,28-39,43-44H,11-12,14,16-20H2,1-9H3
InChIKey WYLTZJOLSYIXGZ-UHFFFAOYSA-N
Mol Weight 777.0 g/mol
Molecular Formula C42H64O13
Exact Mass 776.434692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kgqz2uE2Rws
Name 15,20-EPOXY-2-ALPHA,3-BETA-DIHYDROXY-14,15-SECO-PREGNA-5,15(16),17(20)-TRIEN-14-ONE-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)-BETA-D-CYM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H64O13
InChI InChI=1S/C42H64O13/c1-21-27(13-15-49-21)41(5)14-12-28-26(40(41)45)11-10-25-16-30(29(43)20-42(25,28)6)53-34-18-32(47-8)38(23(3)51-34)55-36-19-33(48-9)39(24(4)52-36)54-35-17-31(46-7)37(44)22(2)50-35/h10,13,15,22-24,26,28-39,43-44H,11-12,14,16-20H2,1-9H3
InChIKey WYLTZJOLSYIXGZ-UHFFFAOYSA-N
Literature Reference Author Z.X.ZHANG,J.ZHOU,K.HAYASHI,K.KANEKO
Literature Reference Citation PHYTOCHEM.,27,2935(1988)
Literature Reference DOI 10.1016/0031-9422(88)80692-7
Molecular Weight 776.962 g/mol
Solvent PYRIDINE-D5
Source File Reference UWBK1210