| SpectraBase Compound ID | hWgevF9MEr |
|---|---|
| InChI | InChI=1S/C51H82O23/c1-19(18-66-45-40(62)37(59)34(56)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(38(60)35(57)31(17-53)71-48)73-47-42(64)39(61)43(22(4)68-47)72-46-41(63)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 | ZHCOQEJRYQKMCC-VFCXXVAJSA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C51H82O23 |
| Exact Mass | 1062.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FiK39rARF4 |
|---|---|
| Name | FISTULOSAPONIN_C;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-5-ENEFUROSTAN-2-ONE-3-ALPHA,22-ALPHA,26-TRIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O23 |
| InChI | InChI=1S/C51H82O23/c1-19(18-66-45-40(62)37(59)34(56)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(38(60)35(57)31(17-53)71-48)73-47-42(64)39(61)43(22(4)68-47)72-46-41(63)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 | ZHCOQEJRYQKMCC-VFCXXVAJSA-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 | 35639 |
| Solvent | C5D5N |