| SpectraBase Compound ID | 1imEtHLKPyz |
|---|---|
| InChI | InChI=1S/C41H58O17/c1-20(2)13-29(45)51-18-26-11-12-27(55-32(48)17-42)39(10)34(37(54-25(9)44)41(50)23(7)38(49)56-28(41)16-26)40(19-52-40)36(58-31(47)15-22(5)6)33(35(39)53-24(8)43)57-30(46)14-21(3)4/h11-12,16,20-23,27-28,33-37,42,50H,13-15,17-19H2,1-10H3/b12-11-,26-16+/t23-,27-,28-,33+,34+,35-,36+,37-,39+,40+,41-/m0/s1 |
| InChIKey | XEHFRCILZVUYOQ-YRUUSIBCSA-N |
| Mol Weight | 822.9 g/mol |
| Molecular Formula | C41H58O17 |
| Exact Mass | 822.3674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7LEmyOY22Bb |
|---|---|
| Name | GEMMACOLIDE-AO |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O17 |
| InChI | InChI=1S/C41H58O17/c1-20(2)13-29(45)51-18-26-11-12-27(55-32(48)17-42)39(10)34(37(54-25(9)44)41(50)23(7)38(49)56-28(41)16-26)40(19-52-40)36(58-31(47)15-22(5)6)33(35(39)53-24(8)43)57-30(46)14-21(3)4/h11-12,16,20-23,27-28,33-37,42,50H,13-15,17-19H2,1-10H3/b12-11-,26-16+/t23-,27-,28-,33+,34+,35-,36+,37-,39+,40+,41-/m0/s1 |
| InChIKey | XEHFRCILZVUYOQ-YRUUSIBCSA-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 | 822.901 g/mol |
| Source File Reference | UWLU74846 |