| SpectraBase Compound ID | 6pbKGl5npp8 |
|---|---|
| InChI | InChI=1S/C22H32O3/c1-13(2)16-10-15-11-19(25-14(3)23)20-21(4,5)8-7-9-22(20,6)17(15)12-18(16)24/h10,12-13,19-20,24H,7-9,11H2,1-6H3/t19-,20-,22+/m0/s1 |
| InChIKey | DKFWEVHDRVCABW-JAXLGGSGSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C22H32O3 |
| Exact Mass | 344.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FleEGG63jjZ |
|---|---|
| Name | 6.alpha.-Acetoxy-Ferruginol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O3 |
| InChI | InChI=1S/C22H32O3/c1-13(2)16-10-15-11-19(25-14(3)23)20-21(4,5)8-7-9-22(20,6)17(15)12-18(16)24/h10,12-13,19-20,24H,7-9,11H2,1-6H3/t19-,20-,22+/m0/s1 |
| InChIKey | DKFWEVHDRVCABW-JAXLGGSGSA-N |
| Molecular Weight | 344.495 g/mol |
| SMILES | Oc1c(C(C)C)cc2c([C@@]3([C@@]([C@](C2)(OC(=O)C)[H])(C(C)(C)CCC3)[H])C)c1 |
| SPLASH | splash10-001i-1294000000-1b258edff134a018e762 |
| Source of Spectrum | G4-60-649-1 |
| Synonyms | Acetic acid [(4bS,8aS,9S)-3-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] ester [(4bS,8aS,9S)-3-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetate [(4bS,8aS,9S)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetate [(4bS,8aS,9S)-4b,8,8-trimethyl-3-oxidanyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] ethanoate |
| Wiley ID | 1606710 |