| SpectraBase Compound ID | 9HDAlKCYiS8 |
|---|---|
| InChI | InChI=1S/C34H46O8S/c1-18(26-16-33(7)30(3,4)41-34(40-26,42-33)17-27(38)43-8)29-24(37)15-23-28-22(10-12-32(23,29)6)31(5)11-9-21(36)13-20(31)14-25(28)39-19(2)35/h9,11,13,18,22-23,25-26,28-29H,10,12,14-17H2,1-8H3/t18-,22+,23+,25-,26-,28-,29+,31+,32+,33-,34+/m1/s1 |
| InChIKey | NLNKSIZTCJYEJJ-XEBDCXKTSA-N |
| Mol Weight | 614.8 g/mol |
| Molecular Formula | C34H46O8S |
| Exact Mass | 614.29134 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JIoNX4BlA2 |
|---|---|
| Name | 16-KETOPETUNIASTERONE_A-7-ACETATE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O8S |
| InChI | InChI=1S/C34H46O8S/c1-18(26-16-33(7)30(3,4)41-34(40-26,42-33)17-27(38)43-8)29-24(37)15-23-28-22(10-12-32(23,29)6)31(5)11-9-21(36)13-20(31)14-25(28)39-19(2)35/h9,11,13,18,22-23,25-26,28-29H,10,12,14-17H2,1-8H3/t18-,22+,23+,25-,26-,28-,29+,31+,32+,33-,34+/m1/s1 |
| InChIKey | NLNKSIZTCJYEJJ-XEBDCXKTSA-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 | 614.794 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17443 |