| SpectraBase Compound ID | 4IoRN9l7den |
|---|---|
| InChI | InChI=1S/C38H52O16/c1-18(2)13-28(43)47-16-25-11-12-26(49-21(6)39)36(10)31(34(52-24(9)42)38(46)20(5)35(45)53-27(38)15-25)37(17-48-37)33(54-29(44)14-19(3)4)30(50-22(7)40)32(36)51-23(8)41/h11-12,15,18-20,26-27,30-34,46H,13-14,16-17H2,1-10H3/b12-11-,25-15+/t20-,26-,27-,30+,31+,32-,33+,34-,36+,37+,38-/m0/s1 |
| InChIKey | ALAQQTLXIXFIGI-YEHVKJKSSA-N |
| Mol Weight | 764.8 g/mol |
| Molecular Formula | C38H52O16 |
| Exact Mass | 764.325536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7frhguP14gG |
|---|---|
| Name | GEMMACOLIDE-AF |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O16 |
| InChI | InChI=1S/C38H52O16/c1-18(2)13-28(43)47-16-25-11-12-26(49-21(6)39)36(10)31(34(52-24(9)42)38(46)20(5)35(45)53-27(38)15-25)37(17-48-37)33(54-29(44)14-19(3)4)30(50-22(7)40)32(36)51-23(8)41/h11-12,15,18-20,26-27,30-34,46H,13-14,16-17H2,1-10H3/b12-11-,25-15+/t20-,26-,27-,30+,31+,32-,33+,34-,36+,37+,38-/m0/s1 |
| InChIKey | ALAQQTLXIXFIGI-YEHVKJKSSA-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 | 764.821 g/mol |
| Source File Reference | UWLU74837 |