![17-O-ACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-20-DEOXY-17-HYDROXY-INGENOL](/api/spectrum/9ZdstzgnUzy/structure.png?h=300&w=458 "17-O-ACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-20-DEOXY-17-HYDROXY-INGENOL")
| SpectraBase Compound ID | CxpUPr4GL4R |
|---|---|
| InChI | InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-15(4)11-26-16(5)10-19-20(25(19,7)12-33-17(6)28)18(22(26)30)9-14(3)21(29)27(23,26)32/h8-9,11,16,18-21,23,29,32H,10,12H2,1-7H3/b13-8-/t16-,18+,19-,20+,21-,23+,25-,26+,27+/m1/s1 |
| InChIKey | HGASDNBBSGLKKY-QNKMEDJZSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C27H36O7 |
| Exact Mass | 472.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZdstzgnUzy |
|---|---|
| Name | 17-O-ACETYL-3-O-[(Z)-2-METHYL-2-BUTENOYL]-20-DEOXY-17-HYDROXY-INGENOL |
| Compound Number | 51 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O7 |
| InChI | InChI=1S/C27H36O7/c1-8-13(2)24(31)34-23-15(4)11-26-16(5)10-19-20(25(19,7)12-33-17(6)28)18(22(26)30)9-14(3)21(29)27(23,26)32/h8-9,11,16,18-21,23,29,32H,10,12H2,1-7H3/b13-8-/t16-,18+,19-,20+,21-,23+,25-,26+,27+/m1/s1 |
| InChIKey | HGASDNBBSGLKKY-QNKMEDJZSA-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 | 472.579 g/mol |
| Sample ID | 69931 |
| Solvent | CDCl3 |