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1-O-[BETA-L-FUCOPYRANOSYL-(4'-SULFATE)]-25R,5-ALPHA-SPIROSTANE-1-BETA,3-BETA-DIOL
SpectraBase Compound ID 7CJhYN57WwF
InChI InChI=1S/C33H54O11S/c1-16-8-11-33(40-15-16)17(2)26-24(43-33)14-23-21-7-6-19-12-20(34)13-25(32(19,5)22(21)9-10-31(23,26)4)42-30-28(36)27(35)29(18(3)41-30)44-45(37,38)39/h16-30,34-36H,6-15H2,1-5H3,(H,37,38,39)/t16-,17+,18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+,31+,32+,33-/m1/s1
InChIKey VEBWDEUHONOFKN-PQBMEILMSA-N
Mol Weight 658.8 g/mol
Molecular Formula C33H54O11S
Exact Mass 658.338684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6UU6wOZTXp
Name 1-O-[BETA-L-FUCOPYRANOSYL-(4'-SULFATE)]-25R,5-ALPHA-SPIROSTANE-1-BETA,3-BETA-DIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O11S
InChI InChI=1S/C33H54O11S/c1-16-8-11-33(40-15-16)17(2)26-24(43-33)14-23-21-7-6-19-12-20(34)13-25(32(19,5)22(21)9-10-31(23,26)4)42-30-28(36)27(35)29(18(3)41-30)44-45(37,38)39/h16-30,34-36H,6-15H2,1-5H3,(H,37,38,39)/t16-,17+,18-,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-,29+,30+,31+,32+,33-/m1/s1
InChIKey VEBWDEUHONOFKN-PQBMEILMSA-N
Literature Reference Author A.D.PATIL,P.W.BAURES,D.S.EGGLESTONE,L.FAUCETTE,M.E.HEMLING,J .W.WESTLEY,R.K.JOHNS
Literature Reference Citation J.NAT.PROD.,56,1451(1993)
Literature Reference DOI 10.1021/np50099a003
Molecular Weight 658.845 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS17888