| SpectraBase Compound ID | 2StlbPLatk |
|---|---|
| InChI | InChI=1S/C34H48O9S/c1-18-25(17-33(7,30(3,4)40)43-27(38)16-28(39)44-8)42-34(18)26(37)15-23-29-22(10-12-32(23,34)6)31(5)11-9-21(36)13-20(31)14-24(29)41-19(2)35/h9,11,13,18,22-26,29,37,40H,10,12,14-17H2,1-8H3/t18-,22+,23+,24-,25-,26+,29-,31+,32+,33-,34-/m1/s1 |
| InChIKey | VPJNNWDZJMVSKF-NRXNXEGVSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C34H48O9S |
| Exact Mass | 632.301904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBUiJJOX7kJ |
|---|---|
| Name | PETUNIOLIDE_P3 |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O9S |
| InChI | InChI=1S/C34H48O9S/c1-18-25(17-33(7,30(3,4)40)43-27(38)16-28(39)44-8)42-34(18)26(37)15-23-29-22(10-12-32(23,34)6)31(5)11-9-21(36)13-20(31)14-24(29)41-19(2)35/h9,11,13,18,22-26,29,37,40H,10,12,14-17H2,1-8H3/t18-,22+,23+,24-,25-,26+,29-,31+,32+,33-,34-/m1/s1 |
| InChIKey | VPJNNWDZJMVSKF-NRXNXEGVSA-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 | 632.810 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17440 |