SpectraBase Compound ID | 8plh8gUJhbE |
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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 |
SpectraBase Spectrum ID | D7nexUGF62t |
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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 |