| SpectraBase Compound ID | 3oBPLoGjLSB |
|---|---|
| InChI | InChI=1S/C37H52O15/c1-18(2)13-27(41)51-31-29(48-22(7)39)32(52-28(42)14-19(3)4)36(17-46-36)30-33(49-23(8)40)37(44)20(5)34(43)50-26(37)15-24(16-45-10)11-12-25(35(30,31)9)47-21(6)38/h11-12,15,18-20,25-26,29-33,44H,13-14,16-17H2,1-10H3/b12-11-,24-15+/t20-,25-,26-,29+,30+,31-,32+,33-,35+,36+,37-/m0/s1 |
| InChIKey | LQHKXNBSHAAFKT-WXHDBPRVSA-N |
| Mol Weight | 736.8 g/mol |
| Molecular Formula | C37H52O15 |
| Exact Mass | 736.330621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90gZYxcJg7b |
|---|---|
| Name | GEMMACOLIDE-AD |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O15 |
| InChI | InChI=1S/C37H52O15/c1-18(2)13-27(41)51-31-29(48-22(7)39)32(52-28(42)14-19(3)4)36(17-46-36)30-33(49-23(8)40)37(44)20(5)34(43)50-26(37)15-24(16-45-10)11-12-25(35(30,31)9)47-21(6)38/h11-12,15,18-20,25-26,29-33,44H,13-14,16-17H2,1-10H3/b12-11-,24-15+/t20-,25-,26-,29+,30+,31-,32+,33-,35+,36+,37-/m0/s1 |
| InChIKey | LQHKXNBSHAAFKT-WXHDBPRVSA-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 | 736.811 g/mol |
| Source File Reference | UWLU74835 |