| SpectraBase Compound ID | HawEc1Gs3Eo |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-18(10-9-13-26(2,3)34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19+,22+,23+,28+,29-,30+/m1/s1 |
| InChIKey | PDXRTNBNKNCEHU-JZHNQXSHSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | yqsh95hsxK |
|---|---|
| Name | (23E)-eupha-8,23-diene-3.beta.,25-diol-7,11-dione |
| Appearance | Colorless gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-18(10-9-13-26(2,3)34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19+,22+,23+,28+,29-,30+/m1/s1 |
| InChIKey | PDXRTNBNKNCEHU-JZHNQXSHSA-N |
| Instrument Name | JEOL GCmate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0205396 |
| Molecular Weight | 470.694 g/mol |
| Optical Rotation | [a]D23 = +6.6 (c = 0.15, MeOH) |
| Reported Formula | C30H46O4 |
| SMILES | OC(\C=C\C[C@]([C@@]1(CC[C@]2([C@]1(CC(C1=C2C(C[C@@]2([C@@]1(CC[C@@](C2(C)C)(O)[H])C)[H])=O)=O)C)C)[H])(C)[H])(C)C |
| SPLASH | splash10-0udi-0000900000-6fdc334389db9599343b |
| Source of Spectrum | G4-66-633-4 |
| Synonyms | 11-Oxo-kansenonol |
| Wiley ID | 1881400 |