| SpectraBase Compound ID | gpIHwhPOQn |
|---|---|
| InChI | InChI=1S/C51H80O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h8,19,21-22,24-26,29-49,52-53,55-64H,7,9-18H2,1-6H3/t19-,21+,22+,24+,25-,26-,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 | MFYDEFVOMLKLGX-YFMLCWIVSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C51H80O22 |
| Exact Mass | 1044.514124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TTfndxwTsv |
|---|---|
| Name | #1;FISTULOSAPONIN_A;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-5,20-DIENEFUROSTAN-2-ONE-3-BETA,26-DIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1-> |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O22 |
| InChI | InChI=1S/C51H80O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h8,19,21-22,24-26,29-49,52-53,55-64H,7,9-18H2,1-6H3/t19-,21+,22+,24+,25-,26-,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 | MFYDEFVOMLKLGX-YFMLCWIVSA-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 | 1045.183 g/mol |
| Sample ID | 35636 |
| Solvent | C5D5N |