| SpectraBase Compound ID | HjGtwtyPTf9 |
|---|---|
| InChI | InChI=1S/C39H54O17/c1-19(2)13-28(43)49-17-30(45)54-26-12-11-25(16-48-10)15-27-39(47,21(5)36(46)55-27)35(53-24(8)42)32-37(26,9)33(51-22(6)40)31(56-29(44)14-20(3)4)34(52-23(7)41)38(32)18-50-38/h11-12,15,19-21,26-27,31-35,47H,13-14,16-18H2,1-10H3/b12-11-,25-15+/t21-,26-,27-,31+,32+,33-,34+,35-,37+,38+,39-/m0/s1 |
| InChIKey | OQKDAVKOLHXFDR-QMBMTOFDSA-N |
| Mol Weight | 794.8 g/mol |
| Molecular Formula | C39H54O17 |
| Exact Mass | 794.3361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QwwzmGiV9e |
|---|---|
| Name | GEMMACOLIDE-AL |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O17 |
| InChI | InChI=1S/C39H54O17/c1-19(2)13-28(43)49-17-30(45)54-26-12-11-25(16-48-10)15-27-39(47,21(5)36(46)55-27)35(53-24(8)42)32-37(26,9)33(51-22(6)40)31(56-29(44)14-20(3)4)34(52-23(7)41)38(32)18-50-38/h11-12,15,19-21,26-27,31-35,47H,13-14,16-18H2,1-10H3/b12-11-,25-15+/t21-,26-,27-,31+,32+,33-,34+,35-,37+,38+,39-/m0/s1 |
| InChIKey | OQKDAVKOLHXFDR-QMBMTOFDSA-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 | 794.848 g/mol |
| Source File Reference | UWLU74843 |