| SpectraBase Compound ID | L7P8selqPF3 |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-13(12-20(25)26)11-19(27-16(4)23)22(6)14(2)9-10-21(5)15(3)17(24)7-8-18(21)22/h12,14,17-19,24H,3,7-11H2,1-2,4-6H3,(H,25,26)/b13-12+/t14-,17+,18+,19-,21+,22+/m1/s1 |
| InChIKey | VTPJBCUNWKVPKU-BNSLJBOUSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6OTXSNEpY2n |
|---|---|
| Name | 11R*-Acetoxy-3.beta.-hydroxyneocleroda-4(18),13E-dien-15-oic acid |
| Appearance | Colorless thick oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-13(12-20(25)26)11-19(27-16(4)23)22(6)14(2)9-10-21(5)15(3)17(24)7-8-18(21)22/h12,14,17-19,24H,3,7-11H2,1-2,4-6H3,(H,25,26)/b13-12+/t14-,17+,18+,19-,21+,22+/m1/s1 |
| InChIKey | VTPJBCUNWKVPKU-BNSLJBOUSA-N |
| Instrument Name | VG Auto Spec |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np049827n |
| Molecular Weight | 378.509 g/mol |
| Optical Rotation | [a]D25 = -83.3 (c = 0.7, CHCl3) |
| SMILES | O[C@@]1(C([C@@]2(CC[C@]([C@]([C@@](C\C(=C\C(=O)O)C)(OC(=O)C)[H])([C@]2(CC1)[H])C)(C)[H])C)=C)[H] |
| SPLASH | splash10-000i-6910000000-0de5239e78e197dfd73a |
| Source of Spectrum | G4-68-591-3 |
| Wiley ID | 1882015 |