SpectraBase Compound ID | 8gzuCs1jexT |
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InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1 |
InChIKey | SYXKKJDQNXPUSI-HDJUQUQRSA-N |
Mol Weight | 540.7 g/mol |
Molecular Formula | C32H44O7 |
Exact Mass | 540.308704 g/mol |
SpectraBase Spectrum ID | CCiaAremYKD |
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Name | 20-ACETYL-INGENOL-3-DECADIENOATE |
Compound Number | 61 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C32H44O7 |
InChI | InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1 |
InChIKey | SYXKKJDQNXPUSI-HDJUQUQRSA-N |
Literature Reference Author | Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN |
Literature Reference Citation | MOLECULES,14,4454(2009) |
Literature Reference DOI | 10.3390/molecules14114454 |
Molecular Weight | 540.697 g/mol |
Sample ID | 69941 |
Solvent | CDCl3 |