| SpectraBase Compound ID | 6wXqcZQkrp5 |
|---|---|
| InChI | InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23?,24?,25?,26+,27?,28-,29+,30?,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | OKXQHXAEZMQAFY-KVFPTENKSA-N |
| Mol Weight | 871.0 g/mol |
| Molecular Formula | C44H70O17 |
| Exact Mass | 870.461301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6AfwoZ05MNs |
|---|---|
| Name | SCHIDIGERA-SAPONIN-A2 |
| Compound Number | 2,5-BETA-SPIROST-25(2 7)-EN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA -D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GALACTO-PYRANOSYDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O17 |
| InChI | InChI=1S/C44H70O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h20-41,45-53H,1,5-18H2,2-4H3/t20-,21+,22-,23?,24?,25?,26+,27?,28-,29+,30?,31-,32-,33-,34+,35+,36-,37-,38+,39-,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | OKXQHXAEZMQAFY-KVFPTENKSA-N |
| Literature Reference Author | M.MIYAKOSHI,Y.TAMURA,H.MASUDA,K.MIZUTANI,O.TANAKA,T.IKEDA,K. OHTANI,R.KASAI,K.YAM |
| Literature Reference Citation | J.NAT.PROD.,63,332(2000) |
| Literature Reference DOI | 10.1021/np9904354 |
| Molecular Weight | 871.030 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7291 |