| SpectraBase Compound ID | ErXg2PCaMXT |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h12,14,19,21-24,30H,7-11,13,15H2,1-6H3/t19-,21-,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey | JANWLMMGERLQDI-MMKNOJKJSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 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 | 6rFfliqywHz |
|---|---|
| Name | Suberitenone A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h12,14,19,21-24,30H,7-11,13,15H2,1-6H3/t19-,21-,22-,23+,24+,26-,27-/m1/s1 |
| InChIKey | JANWLMMGERLQDI-MMKNOJKJSA-N |
| Molecular Weight | 428.613 g/mol |
| SMILES | O[C@@]1(C=C(C)C(C[C@@]1(C=1CC[C@]2([C@@](C1)(C)C[C@]([C@@]1([C@@]2(CCCC1(C)C)C)[H])(OC(=O)C)[H])[H])[H])=O)[H] |
| SPLASH | splash10-01ox-2294100000-f2a2ff89d1b0dfd464ce |
| Source of Spectrum | J-60-7586-1 |
| Synonyms | Acetic acid [(4aS,4bR,8aS,9R,10aS)-2-[(1R,2R)-2-hydroxy-4-methyl-5-oxo-1-cyclohex-3-enyl]-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-9-yl] ester [(4aS,4bR,8aS,9R,10aS)-2-[(1R,2R)-2-hydroxy-4-methyl-5-oxocyclohex-3-en-1-yl]-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-9-yl] acetate [(4aS,4bR,8aS,9R,10aS)-2-[(1R,2R)-2-hydroxy-4-methyl-5-oxo-cyclohex-3-en-1-yl]-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-9-yl] acetate [(4aS,4bR,8aS,9R,10aS)-4b,8,8,10a-tetramethyl-2-[(1R,2R)-4-methyl-2-oxidanyl-5-oxidanylidene-cyclohex-3-en-1-yl]-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-9-yl] ethanoate |
| Wiley ID | 1381238 |