![SCHIDIGERA-SAPONIN-A3;5-BETA-SPIROST-25(27)-EN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/1UqQgUSdcYn/structure.png?h=300&w=458 "SCHIDIGERA-SAPONIN-A3;5-BETA-SPIROST-25(27)-EN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 1RBIGTlONSJ |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h20-42,46-55H,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-,45+/m0/s1 |
| InChIKey | IJWTZRAQSKPMNN-NJZFQIJXSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UqQgUSdcYn |
|---|---|
| Name | SCHIDIGERA-SAPONIN-A3;5-BETA-SPIROST-25(27)-EN-3-BETA-OL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h20-42,46-55H,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-,45+/m0/s1 |
| InChIKey | IJWTZRAQSKPMNN-NJZFQIJXSA-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 | 901.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7292 |