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3-BETA-PREGNA-5,20-DIENE-(2,3,4-TRIACETYL-O)-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID JFLgRz3upqW
InChI InChI=1S/C32H46O8/c1-7-21-9-11-25-24-10-8-22-16-23(12-14-32(22,6)26(24)13-15-31(21,25)5)40-30-29(39-20(4)35)28(38-19(3)34)27(17-36-30)37-18(2)33/h7-8,21,23-30H,1,9-17H2,2-6H3/t21?,23?,24?,25?,26?,27-,28+,29-,30+,31?,32?/m1/s1
InChIKey LIQVNLJBHQWQTM-SNPSTOJCSA-N
Mol Weight 558.7 g/mol
Molecular Formula C32H46O8
Exact Mass 558.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWmWIOpMhLb
Name 3-BETA-PREGNA-5,20-DIENE-(2,3,4-TRIACETYL-O)-BETA-D-XYLOPYRANOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H46O8
InChI InChI=1S/C32H46O8/c1-7-21-9-11-25-24-10-8-22-16-23(12-14-32(22,6)26(24)13-15-31(21,25)5)40-30-29(39-20(4)35)28(38-19(3)34)27(17-36-30)37-18(2)33/h7-8,21,23-30H,1,9-17H2,2-6H3/t21?,23?,24?,25?,26?,27-,28+,29-,30+,31?,32?/m1/s1
InChIKey LIQVNLJBHQWQTM-SNPSTOJCSA-N
Literature Reference Author Y.P.SHI,A.D.RODRIGUEZ,C.L.BARNES,J.A.SANCHEZ,R.G.RAPTIS,P.BA RAN
Literature Reference Citation J.NAT.PROD.,65,1232(2002)
Literature Reference DOI 10.1021/np0200820
Molecular Weight 558.712 g/mol
Solvent CDCl3
Source File Reference UWSI5141