| SpectraBase Compound ID | LNwnlEFlSYr |
|---|---|
| InChI | InChI=1S/C31H40O16/c1-14-28(38)47-21-10-19(12-40-7)8-9-20(46-22(37)11-32)29(6)24(27(31(14,21)39)45-18(5)36)30(13-41-30)26(44-17(4)35)23(42-15(2)33)25(29)43-16(3)34/h8-10,14,20-21,23-27,32,39H,11-13H2,1-7H3/b9-8-,19-10+/t14-,20-,21-,23+,24+,25-,26+,27-,29+,30+,31-/m0/s1 |
| InChIKey | GDSYEKJDVAKCHA-ZNJLNSDISA-N |
| Mol Weight | 668.6 g/mol |
| Molecular Formula | C31H40O16 |
| Exact Mass | 668.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8v1x4MCTgVb |
|---|---|
| Name | GEMMACOLIDE-AA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O16 |
| InChI | InChI=1S/C31H40O16/c1-14-28(38)47-21-10-19(12-40-7)8-9-20(46-22(37)11-32)29(6)24(27(31(14,21)39)45-18(5)36)30(13-41-30)26(44-17(4)35)23(42-15(2)33)25(29)43-16(3)34/h8-10,14,20-21,23-27,32,39H,11-13H2,1-7H3/b9-8-,19-10+/t14-,20-,21-,23+,24+,25-,26+,27-,29+,30+,31-/m0/s1 |
| InChIKey | GDSYEKJDVAKCHA-ZNJLNSDISA-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 | 668.649 g/mol |
| Source File Reference | UWLU74832 |