| SpectraBase Compound ID | LwLTQkQf8mF |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-37(2,52)14-9-15-41(7,53)34-22(44)16-39(5)25-12-10-20-21(42(25,8)26(45)17-40(34,39)6)11-13-27(38(20,3)4)57-36-33(51)31(49)29(47)24(56-36)19-54-35-32(50)30(48)28(46)23(18-43)55-35/h9-10,14,21-25,27-36,43-44,46-53H,11-13,15-19H2,1-8H3/b14-9+/t21?,22-,23-,24-,25+,27+,28-,29-,30+,31+,32-,33-,34?,35-,36+,39+,40-,41?,42+/m1/s1 |
| InChIKey | UZFCBHRZOOELHN-YYFDKMABSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbmNNU4fjNM |
|---|---|
| Name | CUCURBITACIN-4-GENTIOBIOSIDE;3-BETA-(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYLOXY)-16-ALPHA,20,25-TRIHYDROXY-(10-ALPHA)-CUCURBITA-5,23E-DIEN-11-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-37(2,52)14-9-15-41(7,53)34-22(44)16-39(5)25-12-10-20-21(42(25,8)26(45)17-40(34,39)6)11-13-27(38(20,3)4)57-36-33(51)31(49)29(47)24(56-36)19-54-35-32(50)30(48)28(46)23(18-43)55-35/h9-10,14,21-25,27-36,43-44,46-53H,11-13,15-19H2,1-8H3/b14-9+/t21?,22-,23-,24-,25+,27+,28-,29-,30+,31+,32-,33-,34?,35-,36+,39+,40-,41?,42+/m1/s1 |
| InChIKey | UZFCBHRZOOELHN-YYFDKMABSA-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 | 812.993 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWPR1994 |