| SpectraBase Compound ID | IT2JebzvPa5 |
|---|---|
| InChI | InChI=1S/C38H52O17/c1-18(2)12-27(42)48-15-24-10-11-25(54-29(44)16-49-28(43)13-19(3)4)36(9)31(34(53-23(8)41)38(47)20(5)35(46)55-26(38)14-24)37(17-50-37)32(45)30(51-21(6)39)33(36)52-22(7)40/h10-11,14,18-20,25-26,30-34,45,47H,12-13,15-17H2,1-9H3/b11-10-,24-14+/t20-,25-,26-,30-,31+,32+,33-,34-,36+,37+,38-/m0/s1 |
| InChIKey | CHZVFQCAMISAJG-GIIGLMRLSA-N |
| Mol Weight | 780.8 g/mol |
| Molecular Formula | C38H52O17 |
| Exact Mass | 780.32045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvHdUFCFBRl |
|---|---|
| Name | GEMMACOLIDE-AI |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O17 |
| InChI | InChI=1S/C38H52O17/c1-18(2)12-27(42)48-15-24-10-11-25(54-29(44)16-49-28(43)13-19(3)4)36(9)31(34(53-23(8)41)38(47)20(5)35(46)55-26(38)14-24)37(17-50-37)32(45)30(51-21(6)39)33(36)52-22(7)40/h10-11,14,18-20,25-26,30-34,45,47H,12-13,15-17H2,1-9H3/b11-10-,24-14+/t20-,25-,26-,30-,31+,32+,33-,34-,36+,37+,38-/m0/s1 |
| InChIKey | CHZVFQCAMISAJG-GIIGLMRLSA-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 | 780.821 g/mol |
| Source File Reference | UWLU74840 |