| SpectraBase Compound ID | 9Pl6GvYzfif |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-9-13(4)23(27)29-19-11-17-14(5)10-18(30-24(28)25(8)16(7)31-25)20(12(2)3)22(17)21(19)15(6)26/h9,12,16-22H,5,10-11H2,1-4,6-8H3/b13-9-/t16?,17-,18+,19-,20+,21-,22+,25?/m0/s1 |
| InChIKey | MUOZMUCRIJJEQD-UCZVWWKPSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DBjEPfo0hP8 |
|---|---|
| Name | 3-Angeloyloxy-8-epoxyangeloyloxy-10(14)-oplopen-4-one |
| Appearance | White crystals |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-9-13(4)23(27)29-19-11-17-14(5)10-18(30-24(28)25(8)16(7)31-25)20(12(2)3)22(17)21(19)15(6)26/h9,12,16-22H,5,10-11H2,1-4,6-8H3/b13-9-/t16?,17-,18+,19-,20+,21-,22+,25?/m0/s1 |
| InChIKey | MUOZMUCRIJJEQD-UCZVWWKPSA-N |
| Instrument Name | JEOL JMS-AX505HA |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0203739 |
| Molecular Weight | 432.557 g/mol |
| Optical Rotation | [a]D = -109.5 (c = 0.20, CHCl3) |
| Reported Formula | C25H36O6 |
| SMILES | [C@]12(C(C[C@]([C@]([C@@]2([C@]([C@](C1)(OC(\C(=C/C)C)=O)[H])(C(C)=O)[H])[H])(C(C)C)[H])(OC(C1(C)OC1C)=O)[H])=C)[H] |
| SPLASH | splash10-0159-5290000000-6cf5d54cb1cf5e483951 |
| Source of Spectrum | G4-66-228-1 |
| Wiley ID | 1881226 |