![25(S)-SCHIDIGERA-SAPONIN-F1;25(S)-5-BETA-SPIROSTANE-2-BETA,3-BETA-DIOL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GAL](/api/spectrum/HXpkuj4Spzl/structure.png?h=300&w=458 "25(S)-SCHIDIGERA-SAPONIN-F1;25(S)-5-BETA-SPIROSTANE-2-BETA,3-BETA-DIOL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GAL")
| SpectraBase Compound ID | 87yhaCcHF0T |
|---|---|
| InChI | InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3/t18-,19-,20+,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 | CZBXLGUXHJJJMB-ODWDJDILSA-N |
| Mol Weight | 889.0 g/mol |
| Molecular Formula | C44H72O18 |
| Exact Mass | 888.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXpkuj4Spzl |
|---|---|
| Name | 25(S)-SCHIDIGERA-SAPONIN-F1;25(S)-5-BETA-SPIROSTANE-2-BETA,3-BETA-DIOL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GAL |
| Compound Number | 13S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O18 |
| InChI | InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-41-38(61-40-36(54)34(52)32(50)28(14-45)58-40)37(33(51)29(15-46)59-41)60-39-35(53)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3/t18-,19-,20+,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 | CZBXLGUXHJJJMB-ODWDJDILSA-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 | 889.045 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7309 |