| SpectraBase Compound ID | Enwrbl6D1DL |
|---|---|
| InChI | InChI=1S/C32H44O13/c1-17(2)12-25(35)40-15-26(36)44-22-9-8-21(14-39-7)13-24-32(38,18(3)29(37)45-24)28(43-20(5)34)27-30(22,6)23(42-19(4)33)10-11-31(27)16-41-31/h8-9,13,17-18,22-24,27-28,38H,10-12,14-16H2,1-7H3/b9-8-,21-13+/t18-,22-,23-,24-,27+,28-,30-,31+,32-/m0/s1 |
| InChIKey | CESIIFMHPBKFIR-NNCINOJBSA-N |
| Mol Weight | 636.7 g/mol |
| Molecular Formula | C32H44O13 |
| Exact Mass | 636.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cjg3RnOYADw |
|---|---|
| Name | GEMMACOLIDE-AE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O13 |
| InChI | InChI=1S/C32H44O13/c1-17(2)12-25(35)40-15-26(36)44-22-9-8-21(14-39-7)13-24-32(38,18(3)29(37)45-24)28(43-20(5)34)27-30(22,6)23(42-19(4)33)10-11-31(27)16-41-31/h8-9,13,17-18,22-24,27-28,38H,10-12,14-16H2,1-7H3/b9-8-,21-13+/t18-,22-,23-,24-,27+,28-,30-,31+,32-/m0/s1 |
| InChIKey | CESIIFMHPBKFIR-NNCINOJBSA-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 | 636.694 g/mol |
| Source File Reference | UWLU74836 |