| SpectraBase Compound ID | EmAcoCF2L9b |
|---|---|
| InChI | InChI=1S/C42H68O16/c1-37(2,53)14-13-25(45)42(8,54)34-21(44)15-39(5)24-11-9-19-20(41(24,7)26(46)16-40(34,39)6)10-12-27(38(19,3)4)58-36-33(52)31(50)29(48)23(57-36)18-55-35-32(51)30(49)28(47)22(17-43)56-35/h9,20-24,27-36,43-44,47-54H,10-18H2,1-8H3/t20?,21-,22-,23-,24+,27+,28-,29-,30+,31+,32-,33-,34?,35-,36+,39+,40-,41+,42?/m1/s1 |
| InChIKey | MOYVHLYKKUPROT-DZPZPSSYSA-N |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C42H68O16 |
| Exact Mass | 828.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyIw58pwxQF |
|---|---|
| Name | CUCURBITACIN-U-GENTIOBIOSIDE;3-BETA-(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYLOXY)-16-ALPHA,20,25-TRIHYDROXY-(10-ALPHA)-CUCURBIT-5-ENE-11,22-DIONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O16 |
| InChI | InChI=1S/C42H68O16/c1-37(2,53)14-13-25(45)42(8,54)34-21(44)15-39(5)24-11-9-19-20(41(24,7)26(46)16-40(34,39)6)10-12-27(38(19,3)4)58-36-33(52)31(50)29(48)23(57-36)18-55-35-32(51)30(49)28(47)22(17-43)56-35/h9,20-24,27-36,43-44,47-54H,10-18H2,1-8H3/t20?,21-,22-,23-,24+,27+,28-,29-,30+,31+,32-,33-,34?,35-,36+,39+,40-,41+,42?/m1/s1 |
| InChIKey | MOYVHLYKKUPROT-DZPZPSSYSA-N |
| Literature Reference Author | H.ACHENBACH,R.WAIBEL,U.HEFTER-BUEBL,M.A.CONSTENLA |
| Literature Reference Citation | J.NAT.PROD.,56,1506(1993) |
| Literature Reference DOI | 10.1021/np50099a009 |
| Molecular Weight | 828.992 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPR1993 |