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(3-OXO-PREGN-4-EN-20-BETA-YL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID G0fN9y8jruM
InChI InChI=1S/C27H42O7/c1-14(33-25-24(32)23(31)22(30)21(13-28)34-25)18-6-7-19-17-5-4-15-12-16(29)8-10-26(15,2)20(17)9-11-27(18,19)3/h12,14,17-25,28,30-32H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey CVVSZDAAVMEBAJ-SCQFHSMCSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H42O7
Exact Mass 478.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5y2LNJDDUI
Name (3-OXO-PREGN-4-EN-20-BETA-YL)-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O7
InChI InChI=1S/C27H42O7/c1-14(33-25-24(32)23(31)22(30)21(13-28)34-25)18-6-7-19-17-5-4-15-12-16(29)8-10-26(15,2)20(17)9-11-27(18,19)3/h12,14,17-25,28,30-32H,4-11,13H2,1-3H3/t14-,17+,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey CVVSZDAAVMEBAJ-SCQFHSMCSA-N
Literature Reference Author S.SEO,Y.TOMITA,K.TORI,Y.YOSHIMURA
Literature Reference Citation J.AM.CHEM.SOC.,100,3331(1978)
Literature Reference DOI 10.1021/ja00479a014
Molecular Weight 478.626 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS10427