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(25S)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-3S-3-HYDROXY-3-METHYLGLUTAROYL-BETA-D-XYLOPYRANOSYL-(1-
SpectraBase Compound ID 5IEk6NWUrf4
InChI InChI=1S/C56H90O28/c1-21-6-9-56(75-19-21)22(2)37-30(84-56)11-25-23-10-27(60)26-12-29(28(61)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(33(18-59)80-50)81-52-48(83-51-44(71)41(68)38(65)31(16-57)78-51)47(40(67)32(17-58)79-52)82-49-43(70)39(66)34(20-74-49)76-36(64)15-53(3,73)14-35(62)63/h21-34,37-52,57-61,65-73H,6-20H2,1-5H3,(H,62,63)/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,55+,56-/m0/s1
InChIKey ALSGGXFFRDJSPT-XQDWQLLESA-N
Mol Weight 1211.3 g/mol
Molecular Formula C56H90O28
Exact Mass 1210.561862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Jv32Lc3oxQ
Name (25S)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-3S-3-HYDROXY-3-METHYLGLUTAROYL-BETA-D-XYLOPYRANOSYL-(1-
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H90O28
InChI InChI=1S/C56H90O28/c1-21-6-9-56(75-19-21)22(2)37-30(84-56)11-25-23-10-27(60)26-12-29(28(61)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(33(18-59)80-50)81-52-48(83-51-44(71)41(68)38(65)31(16-57)78-51)47(40(67)32(17-58)79-52)82-49-43(70)39(66)34(20-74-49)76-36(64)15-53(3,73)14-35(62)63/h21-34,37-52,57-61,65-73H,6-20H2,1-5H3,(H,62,63)/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,55+,56-/m0/s1
InChIKey ALSGGXFFRDJSPT-XQDWQLLESA-N
Literature Reference Author K.KAWASHIMA,Y.MIMAKI,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,32,1267(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95103-3
Molecular Weight 1211.314 g/mol
Solvent C5D5N
Source File Reference UWLU6444