| SpectraBase Compound ID | 1XES1eTFxFh |
|---|---|
| InChI | InChI=1S/C33H43ClO15/c1-15(2)10-23(39)49-25-27(44-17(4)36)31(7)21(47-24(40)13-35)9-8-20(12-34)11-22-33(42,16(3)30(41)48-22)29(46-19(6)38)26(31)32(14-43-32)28(25)45-18(5)37/h8-9,11,15-16,21-22,25-29,35,42H,10,12-14H2,1-7H3/b9-8-,20-11+/t16-,21-,22-,25+,26+,27-,28+,29-,31+,32+,33-/m0/s1 |
| InChIKey | FZNHYOOQTZUWOC-IHAFJKDVSA-N |
| Mol Weight | 715.1 g/mol |
| Molecular Formula | C33H43ClO15 |
| Exact Mass | 714.229048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8O87a1waAeS |
|---|---|
| Name | GEMMACOLIDE-AN |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43ClO15 |
| InChI | InChI=1S/C33H43ClO15/c1-15(2)10-23(39)49-25-27(44-17(4)36)31(7)21(47-24(40)13-35)9-8-20(12-34)11-22-33(42,16(3)30(41)48-22)29(46-19(6)38)26(31)32(14-43-32)28(25)45-18(5)37/h8-9,11,15-16,21-22,25-29,35,42H,10,12-14H2,1-7H3/b9-8-,20-11+/t16-,21-,22-,25+,26+,27-,28+,29-,31+,32+,33-/m0/s1 |
| InChIKey | FZNHYOOQTZUWOC-IHAFJKDVSA-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 | 715.148 g/mol |
| Source File Reference | UWLU74845 |