| SpectraBase Compound ID | Dw3qL7XuG8N |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-13(2)22(25)11-10-20(5)16(22)12-17(24)21(6)9-7-8-14(3)18(21)19(20)26-15(4)23/h7-9,13,16,18-19,25H,10-12H2,1-6H3/t16-,18+,19+,20+,21-,22-/m1/s1 |
| InChIKey | NCRFOCSSFDGHIA-RDGNZTEISA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ZCpnI8IVTV |
|---|---|
| Name | (8S*)-2-Acetoxy-12-hydroxy-dolasta-4,6-dien-9-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-13(2)22(25)11-10-20(5)16(22)12-17(24)21(6)9-7-8-14(3)18(21)19(20)26-15(4)23/h7-9,13,16,18-19,25H,10-12H2,1-6H3/t16-,18+,19+,20+,21-,22-/m1/s1 |
| InChIKey | NCRFOCSSFDGHIA-RDGNZTEISA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | O[C@@]1([C@]2([C@@]([C@]([C@]3([C@@](C=CC=C3C)(C)C(C2)=O)[H])(OC(=O)C)[H])(CC1)C)[H])C(C)C |
| SPLASH | splash10-0006-9830000000-da9d1f7471c68e9ed031 |
| Source of Spectrum | X2-57-1536-2 |
| Synonyms | Acetic acid [(3R,3aR,5aS,9aR,10S,10aS)-3-hydroxy-5a,9,10a-trimethyl-5-oxo-3-propan-2-yl-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-10-yl] ester [(3R,3aR,5aS,9aR,10S,10aS)-3-hydroxy-5a,9,10a-trimethyl-5-oxo-3-propan-2-yl-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-10-yl] acetate [(3R,3aR,5aS,9aR,10S,10aS)-3-hydroxy-3-isopropyl-5a,9,10a-trimethyl-5-oxo-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-10-yl] acetate [(3R,3aR,5aS,9aR,10S,10aS)-5a,9,10a-trimethyl-3-oxidanyl-5-oxidanylidene-3-propan-2-yl-1,2,3a,4,9a,10-hexahydrobenzo[f]azulen-10-yl] ethanoate |
| Wiley ID | 1605697 |