| SpectraBase Compound ID | JefmcoNiQFU |
|---|---|
| InChI | InChI=1S/C34H46O15/c1-16(2)12-25(39)49-29-26(45-19(5)36)28(46-20(6)37)32(8)23(44-18(4)35)11-10-22(14-42-9)13-24-34(41,17(3)31(40)48-24)30(47-21(7)38)27(32)33(29)15-43-33/h10-11,13,16-17,23-24,26-30,41H,12,14-15H2,1-9H3/b11-10-,22-13+/t17-,23-,24-,26+,27+,28-,29+,30-,32+,33+,34-/m0/s1 |
| InChIKey | VOWVJIVXRZVFAG-PDFFAIAESA-N |
| Mol Weight | 694.7 g/mol |
| Molecular Formula | C34H46O15 |
| Exact Mass | 694.283671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxeCdfdiTvc |
|---|---|
| Name | GEMMACOLIDE-AC |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O15 |
| InChI | InChI=1S/C34H46O15/c1-16(2)12-25(39)49-29-26(45-19(5)36)28(46-20(6)37)32(8)23(44-18(4)35)11-10-22(14-42-9)13-24-34(41,17(3)31(40)48-24)30(47-21(7)38)27(32)33(29)15-43-33/h10-11,13,16-17,23-24,26-30,41H,12,14-15H2,1-9H3/b11-10-,22-13+/t17-,23-,24-,26+,27+,28-,29+,30-,32+,33+,34-/m0/s1 |
| InChIKey | VOWVJIVXRZVFAG-PDFFAIAESA-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 | 694.730 g/mol |
| Source File Reference | UWLU74834 |