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ASPARACOSIDE;25(S)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-[ALPHA-L-ARABINOPYRANOSYL-(1->4)]-[BETA-D-GLUCOPYRANOSYL
SpectraBase Compound ID 8plh8gUJhbE
InChI InChI=1S/C49H80O21/c1-20-7-12-49(64-16-20)21(2)32-29(70-49)14-26-24-6-5-22-13-23(8-10-47(22,3)25(24)9-11-48(26,32)4)65-46-42(69-45-39(59)36(56)35(55)30(15-50)66-45)40(60)41(68-44-38(58)34(54)28(52)18-62-44)31(67-46)19-63-43-37(57)33(53)27(51)17-61-43/h20-46,50-60H,5-19H2,1-4H3/t20-,21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48-,49+/m0/s1
InChIKey GLLQBFOUGGRCKY-LECABMSTSA-N
Mol Weight 1005.2 g/mol
Molecular Formula C49H80O21
Exact Mass 1004.51921 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7nexUGF62t
Name ASPARACOSIDE;25(S)-5-BETA-SPIROSTAN-3-BETA-OL-3-O-ALPHA-L-ARABINOPYRANOSYL-(1->6)-[ALPHA-L-ARABINOPYRANOSYL-(1->4)]-[BETA-D-GLUCOPYRANOSYL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H80O21
InChI InChI=1S/C49H80O21/c1-20-7-12-49(64-16-20)21(2)32-29(70-49)14-26-24-6-5-22-13-23(8-10-47(22,3)25(24)9-11-48(26,32)4)65-46-42(69-45-39(59)36(56)35(55)30(15-50)66-45)40(60)41(68-44-38(58)34(54)28(52)18-62-44)31(67-46)19-63-43-37(57)33(53)27(51)17-61-43/h20-46,50-60H,5-19H2,1-4H3/t20-,21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38-,39+,40-,41+,42+,43-,44+,45-,46+,47-,48-,49+/m0/s1
InChIKey GLLQBFOUGGRCKY-LECABMSTSA-N
Literature Reference Author H.J.ZHANG,K.SYDARA,G.T.TAN,C.MA,B.SOUTHAVONG,D.D.SOEJARTO,J. M.PEZZUTO,H.H.S.FONG
Literature Reference Citation J.NAT.PROD.,67,194(2004)
Literature Reference DOI 10.1021/np030370b
Molecular Weight 1005.162 g/mol
Solvent PYRIDINE-D5
Source File Reference UWKP3701