| SpectraBase Compound ID | CTSNYa9koOl |
|---|---|
| InChI | InChI=1S/C51H82O24/c1-19(18-67-46-42(65)38(61)34(57)29(14-52)70-46)5-8-26-20(2)33-28(68-26)12-24-22-7-6-21-11-27(25(56)13-51(21,4)23(22)9-10-50(24,33)3)69-48-44(40(63)36(59)31(16-54)72-48)75-49-45(41(64)37(60)32(17-55)73-49)74-47-43(66)39(62)35(58)30(15-53)71-47/h6,19,22-25,27-49,52-66H,5,7-18H2,1-4H3/t19-,22+,23-,24-,25+,27+,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 | CESQXMVGKMWMIP-BZNCLJAXSA-N |
| Mol Weight | 1079.2 g/mol |
| Molecular Formula | C51H82O24 |
| Exact Mass | 1078.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54KRO59Aqg |
|---|---|
| Name | FISTULOSAPONIN_E;(25-R)-26-O-BETA-D-GLUCOPYRANOSYL-5,20-DIENEFUROSTAN-2-ALPHA,3-BETA,26-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D- |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O24 |
| InChI | InChI=1S/C51H82O24/c1-19(18-67-46-42(65)38(61)34(57)29(14-52)70-46)5-8-26-20(2)33-28(68-26)12-24-22-7-6-21-11-27(25(56)13-51(21,4)23(22)9-10-50(24,33)3)69-48-44(40(63)36(59)31(16-54)72-48)75-49-45(41(64)37(60)32(17-55)73-49)74-47-43(66)39(62)35(58)30(15-53)71-47/h6,19,22-25,27-49,52-66H,5,7-18H2,1-4H3/t19-,22+,23-,24-,25+,27+,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 | CESQXMVGKMWMIP-BZNCLJAXSA-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 | 1079.198 g/mol |
| Sample ID | 35637 |
| Solvent | C5D5N |