SpectraBase Compound ID | FKcjJBGX3VA |
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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-OWQGIWGESA-N |
Mol Weight | 694.8 g/mol |
Molecular Formula | C36H54O13 |
Exact Mass | 694.356442 g/mol |
SpectraBase Spectrum ID | G7pd2dTUuwi |
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Name | 2-O-BETA-D-GLUCOPYRANOSYL-CUCURBITACIN-K |
Compound Number | 1 |
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-OWQGIWGESA-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 | 694.817 g/mol |
Solvent | CD3OD |
Source File Reference | UWLU36001 |