SpectraBase Compound ID | ADuSjGqSJFP |
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InChI | InChI=1S/C43H68O17/c1-18-7-10-43(56-14-18)19(2)30-27(60-43)12-24-22-6-5-20-11-21(8-9-41(20,3)23(22)13-29(46)42(24,30)4)57-40-36(52)33(49)37(59-39-35(51)32(48)26(45)16-54-39)28(58-40)17-55-38-34(50)31(47)25(44)15-53-38/h18-28,30-40,44-45,47-52H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26+,27+,28-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40-,41+,42-,43+/m1/s1 |
InChIKey | OUCDJSWSAODKNK-XLHKPRMSSA-N |
Mol Weight | 857.0 g/mol |
Molecular Formula | C43H68O17 |
Exact Mass | 856.445651 g/mol |
SpectraBase Spectrum ID | eS8fcdAAp9 |
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Name | FILIASPAROSIDE_A;(25-R)-3-HYDROXY-5-ALPHA-SPIROSTAN-12-ONE-3-O-BETA-XYLOPYRANOSYL-(1->4)-[ALPHA-ARABINOPYRANOSYL-(1->6)]-BETA-GLUCOPYRANOSIDE |
Compound Number | 1 |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C43H68O17 |
InChI | InChI=1S/C43H68O17/c1-18-7-10-43(56-14-18)19(2)30-27(60-43)12-24-22-6-5-20-11-21(8-9-41(20,3)23(22)13-29(46)42(24,30)4)57-40-36(52)33(49)37(59-39-35(51)32(48)26(45)16-54-39)28(58-40)17-55-38-34(50)31(47)25(44)15-53-38/h18-28,30-40,44-45,47-52H,5-17H2,1-4H3/t18-,19+,20+,21+,22-,23+,24+,25+,26+,27+,28-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40-,41+,42-,43+/m1/s1 |
InChIKey | OUCDJSWSAODKNK-XLHKPRMSSA-N |
Literature Reference Author | L.B.ZHOU,T.H.CHEN,K.F.BASTOW,M.SHIBANO,K.H.LEE,D.F.CHEN |
Literature Reference Citation | J.NAT.PROD.,70,1263(2007) |
Literature Reference DOI | 10.1021/np070138w |
Molecular Weight | 857.003 g/mol |
Sample ID | 31373 |
Solvent | C5D5N |