SpectraBase Compound ID | K6Nrt5wevHX |
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InChI | InChI=1S/C51H82O23/c1-19(18-66-45-39(61)38(60)35(57)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(73-47-41(63)37(59)34(56)22(4)68-47)42(64)43(31(17-53)71-48)72-46-40(62)36(58)33(55)21(3)67-46/h7,19-22,24-26,28-48,52-53,55-65H,8-18H2,1-6H3/t19-,20-,21+,22+,24+,25-,26-,28+,29-,30-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+/m0/s1 |
InChIKey | WHGHRHMITMISMP-UAYAYPALSA-N |
Mol Weight | 1063.2 g/mol |
Molecular Formula | C51H82O23 |
Exact Mass | 1062.524689 g/mol |
SpectraBase Spectrum ID | 6jS2eqi8sU |
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Name | FISTULOSAPONIN_B;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-5-ENEFUROSTAN-2-ONE-3-BETA,22-ALPHA,26-TRIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2) |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C51H82O23 |
InChI | InChI=1S/C51H82O23/c1-19(18-66-45-39(61)38(60)35(57)30(16-52)70-45)9-12-51(65)20(2)32-29(74-51)14-26-24-8-7-23-13-28(27(54)15-50(23,6)25(24)10-11-49(26,32)5)69-48-44(73-47-41(63)37(59)34(56)22(4)68-47)42(64)43(31(17-53)71-48)72-46-40(62)36(58)33(55)21(3)67-46/h7,19-22,24-26,28-48,52-53,55-65H,8-18H2,1-6H3/t19-,20-,21+,22+,24+,25-,26-,28+,29-,30-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+/m0/s1 |
InChIKey | WHGHRHMITMISMP-UAYAYPALSA-N |
Literature Reference Author | W.LAI,Z.WU,H.LIN,T.LI,L.SUN,Y.CHAI,W.CHEN |
Literature Reference Citation | J.NAT.PROD.,73,1053(2010) |
Literature Reference DOI | 10.1021/np900815p |
Molecular Weight | 1063.198 g/mol |
Sample ID | 35638 |
Solvent | C5D5N |