| SpectraBase Compound ID | HK0vIPV3llj |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-12-13(6-9-21)16(22)11-15-14(12)10-17(23)20(24)18(2,3)7-5-8-19(15,20)4/h6,9,12,14-15,17,23-24H,5,7-8,10-11H2,1-4H3/b13-6-/t12-,14-,15-,17+,19+,20+/m0/s1 |
| InChIKey | JUXCQNYNTYPLJX-FPPKLJCXSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IzE4PKj8B76 |
|---|---|
| Name | 16,17-seco-15-formylcaesaldekarin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-12-13(6-9-21)16(22)11-15-14(12)10-17(23)20(24)18(2,3)7-5-8-19(15,20)4/h6,9,12,14-15,17,23-24H,5,7-8,10-11H2,1-4H3/b13-6-/t12-,14-,15-,17+,19+,20+/m0/s1 |
| InChIKey | JUXCQNYNTYPLJX-FPPKLJCXSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@@]([C@@]3([C@@]1(C(CCC3)(C)C)O)C)(CC(\C([C@@]2(C)[H])=C\C=O)=O)[H])[H])[H] |
| SPLASH | splash10-0a4i-9103000000-302bbb87dac9ad344b13 |
| Source of Spectrum | E1-42-1802-6 |
| Synonyms | (2Z)-2-[(1R,4aS,4bR,8aR,9R,10aS)-8a,9-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-4,4a,5,6,7,9,10,10a-octahydro-1H-phenanthren-2-ylidene]acetaldehyde (2Z)-2-[(1R,4aS,4bR,8aR,9R,10aS)-1,4b,8,8-tetramethyl-8a,9-bis(oxidanyl)-3-oxidanylidene-4,4a,5,6,7,9,10,10a-octahydro-1H-phenanthren-2-ylidene]ethanal |
| Wiley ID | 1552762 |