| SpectraBase Compound ID | 1AQNXBKDSti |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-13(2)6-5-10-20(12-21)15-9-11-19(4)16(23-19)8-7-14(3)17(15)18(22)24-20/h5-6,10,15-17,21H,3,7-9,11-12H2,1-2,4H3/b10-5+/t15-,16-,17-,19-,20-/m0/s1 |
| InChIKey | JYBJATPZXXGWRQ-JFJONPEWSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 88XNs40yVpu |
|---|---|
| Name | Xeniolide-H |
| Appearance | Oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-13(2)6-5-10-20(12-21)15-9-11-19(4)16(23-19)8-7-14(3)17(15)18(22)24-20/h5-6,10,15-17,21H,3,7-9,11-12H2,1-2,4H3/b10-5+/t15-,16-,17-,19-,20-/m0/s1 |
| InChIKey | JYBJATPZXXGWRQ-JFJONPEWSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020268z |
| Molecular Weight | 332.440 g/mol |
| Optical Rotation | [a]D25 = +16.3 (c = 0.46, CHCl3) |
| Reported Formula | C20H28O4 |
| SMILES | OC[C@]1([C@@]2([C@@](C(CC[C@]3([C@@](CC2)(C)O3)[H])=C)([H])C(O1)=O)[H])\C=C\C=C(C)C |
| SPLASH | splash10-0a4i-9000000000-a019738f8f7aa9e869da |
| Source of Spectrum | G4-65-1885-6 |
| Wiley ID | 1883562 |