| SpectraBase Compound ID | LhMg0LUtzHa |
|---|---|
| InChI | InChI=1S/C32H44O7/c1-17(25-16-31(7)28(3,4)38-32(8,37-25)39-31)27-23(35)15-22-26-21(10-12-30(22,27)6)29(5)11-9-20(34)13-19(29)14-24(26)36-18(2)33/h9,11,13,17,21-22,24-27H,10,12,14-16H2,1-8H3/t17-,21+,22+,24-,25-,26-,27+,29+,30+,31-,32+/m1/s1 |
| InChIKey | JZZHRYLQQNTCRM-FYMXZRLVSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C32H44O7 |
| Exact Mass | 540.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NQmzOvlMwO |
|---|---|
| Name | 16-KETOPETUNIASTERONE_D-7-ACETATE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O7 |
| InChI | InChI=1S/C32H44O7/c1-17(25-16-31(7)28(3,4)38-32(8,37-25)39-31)27-23(35)15-22-26-21(10-12-30(22,27)6)29(5)11-9-20(34)13-19(29)14-24(26)36-18(2)33/h9,11,13,17,21-22,24-27H,10,12,14-16H2,1-8H3/t17-,21+,22+,24-,25-,26-,27+,29+,30+,31-,32+/m1/s1 |
| InChIKey | JZZHRYLQQNTCRM-FYMXZRLVSA-N |
| Literature Reference Author | C.A.ELLIGER,A.C.WAISS,M.BENSON,R.Y.WONG |
| Literature Reference Citation | PHYTOCHEM.,29,2853(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87091-8 |
| Molecular Weight | 540.697 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17442 |