John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=18dRRnuIjtO SpectraBase Spectrum ID=3zT961hRpI7

(accessed ).
3-O-BETA-D-GLUCOPYRANOSYL-3-BETA,15-ALPHA-DIHYDROXYPREGN-5-EN-20-ONE
SpectraBase Compound ID 18dRRnuIjtO
InChI InChI=1S/C27H42O8/c1-13(29)18-11-19(30)21-16-5-4-14-10-15(6-8-26(14,2)17(16)7-9-27(18,21)3)34-25-24(33)23(32)22(31)20(12-28)35-25/h4,15-25,28,30-33H,5-12H2,1-3H3/t15-,16?,17?,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey JKGDLENFDIWQCS-QQTROAAASA-N
Mol Weight 494.6 g/mol
Molecular Formula C27H42O8
Exact Mass 494.287969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zT961hRpI7
Name 3-O-BETA-D-GLUCOPYRANOSYL-3-BETA,15-ALPHA-DIHYDROXYPREGN-5-EN-20-ONE
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O8
InChI InChI=1S/C27H42O8/c1-13(29)18-11-19(30)21-16-5-4-14-10-15(6-8-26(14,2)17(16)7-9-27(18,21)3)34-25-24(33)23(32)22(31)20(12-28)35-25/h4,15-25,28,30-33H,5-12H2,1-3H3/t15-,16?,17?,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey JKGDLENFDIWQCS-QQTROAAASA-N
Literature Reference Author X.CHEN,Q.ZHU,Z.JIA
Literature Reference Citation PLANTA.MED.,67,270(2001)
Literature Reference DOI 10.1055/s-2001-11996
Molecular Weight 494.626 g/mol
Solvent DMSO-D6
Source File Reference UIAP1533
SpectraBase Batch ID JOWGQ5O01PO