| SpectraBase Compound ID | IREAzsT5prQ |
|---|---|
| InChI | InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)27(35)25-17-18-30(5,6)37-28(25)33(29(32)36,31(24,7)8)26(34)23-12-10-9-11-13-23/h9-14,16-18,24H,15,19-20H2,1-8H3/t24-,32-,33+/m1/s1 |
| InChIKey | XZRIJWPXNMBDQY-KFWOAIQGSA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C33H40O4 |
| Exact Mass | 500.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9H98wh9G2tV |
|---|---|
| Name | Plukenetione F |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H40O4 |
| InChI | InChI=1S/C33H40O4/c1-21(2)14-15-24-20-32(19-16-22(3)4)27(35)25-17-18-30(5,6)37-28(25)33(29(32)36,31(24,7)8)26(34)23-12-10-9-11-13-23/h9-14,16-18,24H,15,19-20H2,1-8H3/t24-,32-,33+/m1/s1 |
| InChIKey | XZRIJWPXNMBDQY-KFWOAIQGSA-N |
| Instrument Name | Micromass VG 70-250S |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np000321o |
| Molecular Weight | 500.679 g/mol |
| Reported Formula | C33H40O4 |
| SMILES | c1cc(ccc1)C([C@]12C=3OC(C=CC3C([C@](C1=O)(C[C@](C2(C)C)(CC=C(C)C)[H])CC=C(C)C)=O)(C)C)=O |
| SPLASH | splash10-0aor-3426910000-ef625cc320aea9cea005 |
| Source of Spectrum | G4-64-SM2-4 |
| Wiley ID | 1882789 |