SpectraBase Compound ID | 7GDQDaZsITn |
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InChI | InChI=1S/C43H62O13/c1-23(30(45)14-15-40(2,3)51)26-13-18-43(52)28-21-31(46)29-20-25(11-16-41(29,4)27(28)12-17-42(26,43)5)54-35(47)10-8-24-7-9-32(53-6)33(19-24)55-39-38(50)37(49)36(48)34(22-44)56-39/h7-10,19,21,23,25-27,29-30,34,36-39,44-45,48-52H,11-18,20,22H2,1-6H3/b10-8+/t23-,25-,26+,27-,29-,30+,34+,36+,37-,38+,39+,41+,42+,43+/m0/s1 |
InChIKey | MQGVGWKYFURAKS-XRULZKTLSA-N |
Mol Weight | 787.0 g/mol |
Molecular Formula | C43H62O13 |
Exact Mass | 786.419042 g/mol |
SpectraBase Spectrum ID | 6SR7qX8fULd |
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Name | 2-DEOXY-ECDYSONE-3-[4-(1-BETA-D-GLUCOPYRANOSYL)]-FERULATE |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C43H62O13 |
InChI | InChI=1S/C43H62O13/c1-23(30(45)14-15-40(2,3)51)26-13-18-43(52)28-21-31(46)29-20-25(11-16-41(29,4)27(28)12-17-42(26,43)5)54-35(47)10-8-24-7-9-32(53-6)33(19-24)55-39-38(50)37(49)36(48)34(22-44)56-39/h7-10,19,21,23,25-27,29-30,34,36-39,44-45,48-52H,11-18,20,22H2,1-6H3/b10-8+/t23-,25-,26+,27-,29-,30+,34+,36+,37-,38+,39+,41+,42+,43+/m0/s1 |
InChIKey | MQGVGWKYFURAKS-XRULZKTLSA-N |
Literature Reference Author | R.HO,J.P.GIRAULT,P.Y.COUSTEAU,J.P.BIANCHINI,P.RAHARIVELOMANA NA,R.LAFONT |
Literature Reference Citation | J.CHROMAT.SCI.,46,102(2008) |
Literature Reference DOI | 10.1093/chromsci/46.2.102 |
Molecular Weight | 786.957 g/mol |
Solvent | CD3OD |
Source File Reference | UWLU76379 |