| SpectraBase Compound ID | LW8J4ylLF4 |
|---|---|
| InChI | InChI=1S/C31H44O8/c1-15(21-14-28(6)27(4,5)38-30(8,36-21)39-28)19-9-10-20-24-18(13-22(29(19,20)7)34-17(3)32)16(2)31(26-25(24)35-26)12-11-23(33)37-31/h13,15-16,19-22,24-26H,9-12,14H2,1-8H3/t15-,16-,19+,20-,21+,22-,24+,25-,26-,28+,29+,30-,31+/m0/s1 |
| InChIKey | JFZWPMXWDBVHDW-BDFICUMWSA-N |
| Mol Weight | 544.7 g/mol |
| Molecular Formula | C31H44O8 |
| Exact Mass | 544.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNIIiV97Fu9 |
|---|---|
| Name | PETUNIOLIDE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H44O8 |
| InChI | InChI=1S/C31H44O8/c1-15(21-14-28(6)27(4,5)38-30(8,36-21)39-28)19-9-10-20-24-18(13-22(29(19,20)7)34-17(3)32)16(2)31(26-25(24)35-26)12-11-23(33)37-31/h13,15-16,19-22,24-26H,9-12,14H2,1-8H3/t15-,16-,19+,20-,21+,22-,24+,25-,26-,28+,29+,30-,31+/m0/s1 |
| InChIKey | JFZWPMXWDBVHDW-BDFICUMWSA-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 | 544.686 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17434 |