![#3;CLINOPOSAPONIN-XI;13-BETA,28-EPOXY-16-BETA-HYDROXY-OLEAN-11-EN-3-BETA-YL-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE](/api/spectrum/6dnP9T6Nh5z/structure.png?h=300&w=458 "#3;CLINOPOSAPONIN-XI;13-BETA,28-EPOXY-16-BETA-HYDROXY-OLEAN-11-EN-3-BETA-YL-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE")
| SpectraBase Compound ID | 5240ZUMJhmh |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-22-30(52)37(64-39-35(57)33(55)31(53)23(19-49)61-39)38(65-40-36(58)34(56)32(54)24(20-50)62-40)41(60-22)63-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-59-48)28(51)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23-,24+,25+,26-,27?,28+,29+,30+,31-,32+,33+,34-,35-,36+,37+,38-,39+,40-,41+,44+,45-,46+,47-,48+/m1/s1 |
| InChIKey | UKBCURZIYXTEHQ-MSKRRRRBSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dnP9T6Nh5z |
|---|---|
| Name | #3;CLINOPOSAPONIN-XI;13-BETA,28-EPOXY-16-BETA-HYDROXY-OLEAN-11-EN-3-BETA-YL-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-FUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-22-30(52)37(64-39-35(57)33(55)31(53)23(19-49)61-39)38(65-40-36(58)34(56)32(54)24(20-50)62-40)41(60-22)63-29-11-12-44(6)25(43(29,4)5)9-13-45(7)26(44)10-14-48-27-17-42(2,3)15-16-47(27,21-59-48)28(51)18-46(45,48)8/h10,14,22-41,49-58H,9,11-13,15-21H2,1-8H3/t22-,23-,24+,25+,26-,27?,28+,29+,30+,31-,32+,33+,34-,35-,36+,37+,38-,39+,40-,41+,44+,45-,46+,47-,48+/m1/s1 |
| InChIKey | UKBCURZIYXTEHQ-MSKRRRRBSA-N |
| Literature Reference Author | F.MORI,T.MIYASE,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,36,1485(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89747-2 |
| Molecular Weight | 927.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26430 |