| SpectraBase Compound ID | CeQBNlPEMkY |
|---|---|
| InChI | InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21+,22+,25+,26-,27+,28+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | QCAZYVAEXLGYLV-MBCVDLMCSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C36H54O12 |
| Exact Mass | 678.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6dlPloEQK4 |
|---|---|
| Name | 2-O-BETA-D-GLUCOPYRANOSYL-CUCURBITACIN-L |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O12 |
| InChI | InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21+,22+,25+,26-,27+,28+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | QCAZYVAEXLGYLV-MBCVDLMCSA-N |
| Literature Reference Author | C.SEGER,S.STURM,M.E.MAIR,E.P.ELLMERER,H.STUPPNER |
| Literature Reference Citation | MAGN.RES.CHEM.,43,489(2005) |
| Literature Reference DOI | 10.1002/mrc.1570 |
| Molecular Weight | 678.818 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU36003 |