| SpectraBase Compound ID | ptX6wu2q02 |
|---|---|
| InChI | InChI=1S/C35H46O16/c1-16(2)12-26(41)44-14-23-10-11-24(46-18(4)36)33(9)28(31(50-22(8)40)35(43)17(3)32(42)51-25(35)13-23)34(15-45-34)30(49-21(7)39)27(47-19(5)37)29(33)48-20(6)38/h10-11,13,16-17,24-25,27-31,43H,12,14-15H2,1-9H3/b11-10-,23-13+/t17-,24-,25-,27+,28+,29-,30+,31-,33+,34+,35-/m0/s1 |
| InChIKey | BOMQRABZWHYQGC-ZBWKKVRZSA-N |
| Mol Weight | 722.7 g/mol |
| Molecular Formula | C35H46O16 |
| Exact Mass | 722.278585 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtVtGMdKyB1 |
|---|---|
| Name | GEMMACOLIDE-G |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O16 |
| InChI | InChI=1S/C35H46O16/c1-16(2)12-26(41)44-14-23-10-11-24(46-18(4)36)33(9)28(31(50-22(8)40)35(43)17(3)32(42)51-25(35)13-23)34(15-45-34)30(49-21(7)39)27(47-19(5)37)29(33)48-20(6)38/h10-11,13,16-17,24-25,27-31,43H,12,14-15H2,1-9H3/b11-10-,23-13+/t17-,24-,25-,27+,28+,29-,30+,31-,33+,34+,35-/m0/s1 |
| InChIKey | BOMQRABZWHYQGC-ZBWKKVRZSA-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 | 722.741 g/mol |
| Source File Reference | UWLU74838 |