| SpectraBase Compound ID | 1khnaaK7JP2 |
|---|---|
| InChI | InChI=1S/C33H44O15/c1-15(2)11-24(39)48-27-25(44-18(5)36)28(45-19(6)37)32(14-42-32)26-29(46-20(7)38)33(41)16(3)30(40)47-23(33)12-21(13-34)9-10-22(31(26,27)8)43-17(4)35/h9-10,12,15-16,22-23,25-29,34,41H,11,13-14H2,1-8H3/b10-9-,21-12+/t16-,22-,23-,25+,26+,27-,28+,29-,31+,32+,33-/m0/s1 |
| InChIKey | OMCCYEZNVYTIGG-MPEYQPFTSA-N |
| Mol Weight | 680.7 g/mol |
| Molecular Formula | C33H44O15 |
| Exact Mass | 680.268021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjMXcaMFccP |
|---|---|
| Name | GEMMACOLIDE-AQ |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H44O15 |
| InChI | InChI=1S/C33H44O15/c1-15(2)11-24(39)48-27-25(44-18(5)36)28(45-19(6)37)32(14-42-32)26-29(46-20(7)38)33(41)16(3)30(40)47-23(33)12-21(13-34)9-10-22(31(26,27)8)43-17(4)35/h9-10,12,15-16,22-23,25-29,34,41H,11,13-14H2,1-8H3/b10-9-,21-12+/t16-,22-,23-,25+,26+,27-,28+,29-,31+,32+,33-/m0/s1 |
| InChIKey | OMCCYEZNVYTIGG-MPEYQPFTSA-N |
| Literature Reference Author | C.LI,M.JIANG,M.P.LA,T.J.LI,H.TANG,P.SUN,B.S.LIU,Y.H.YI,Z.LIU ,W.ZHANG |
| Literature Reference Citation | MAR.DRUGS,11,1565(2013) |
| Literature Reference DOI | 10.3390/md11051565 |
| Molecular Weight | 680.703 g/mol |
| Source File Reference | UWLU74848 |