| SpectraBase Compound ID | FecIOV8JBEs |
|---|---|
| InChI | InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20+,21+,22-,25+,26-,27+,28+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | XPEAYHKXEWXAKV-DRSNETOZSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C36H54O13 |
| Exact Mass | 694.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gh2ADQSbPs8 |
|---|---|
| Name | CUCURBITACIN_K_2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O13 |
| InChI | InChI=1S/C36H54O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20+,21+,22-,25+,26-,27+,28+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | XPEAYHKXEWXAKV-DRSNETOZSA-N |
| Literature Reference Author | M.GAN,M.LIU,B.LIU,S.LIN,Y.ZHANG,J.ZI,W.SONG,F.YE,X.CHEN,J.SH I |
| Literature Reference Citation | J.NAT.PROD.,74,2431(2011) |
| Literature Reference DOI | 10.1021/np200706n |
| Molecular Weight | 694.817 g/mol |
| Sample ID | 39560 |
| Solvent | DMSO-D6 |