SpectraBase Compound ID | 5tHwCuUB3dF |
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InChI | InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39+,40-,43-,44-,45+,46+,47-/m0/s1 |
InChIKey | SOLICHUQXFAOEP-LMFMEQEPSA-N |
Mol Weight | 913.1 g/mol |
Molecular Formula | C47H76O17 |
Exact Mass | 912.508251 g/mol |
SpectraBase Spectrum ID | 84L5rBhO1Yq |
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Name | PULSATILLA-SAPONIN-D;3-O-[[BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL]-HEDERAGENIN |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C47H76O17 |
InChI | InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25-,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36-,37+,38-,39+,40-,43-,44-,45+,46+,47-/m0/s1 |
InChIKey | SOLICHUQXFAOEP-LMFMEQEPSA-N |
Literature Reference Author | O.A.EKABO,N.R.FARNSWORTH,T.O.HENDERSON,G.MAO,R.MUKHERJEE |
Literature Reference Citation | J.NAT.PROD.,59,431(1996) |
Literature Reference DOI | 10.1021/np960208r |
Molecular Weight | 913.110 g/mol |
Solvent | PYRIDINE-D5 |
Source File Reference | UWVP2457 |