| SpectraBase Compound ID | 9TTWVuIqWEh |
|---|---|
| InChI | InChI=1S/C17H28O5/c1-5-21-13-8-12(18)16(4)14-11(10(3)15(19)22-14)7-6-9(2)17(13,16)20/h9-14,18,20H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14+,16-,17-/m0/s1 |
| InChIKey | OKMLGQKCYZYGJW-FPNPLNIOSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C17H28O5 |
| Exact Mass | 312.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HC5sUAbH3e7 |
|---|---|
| Name | 2-Ethoxy-4-hydroxy-11-methylparthenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O5 |
| InChI | InChI=1S/C17H28O5/c1-5-21-13-8-12(18)16(4)14-11(10(3)15(19)22-14)7-6-9(2)17(13,16)20/h9-14,18,20H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14+,16-,17-/m0/s1 |
| InChIKey | OKMLGQKCYZYGJW-FPNPLNIOSA-N |
| Molecular Weight | 312.406 g/mol |
| SMILES | O[C@@]1([C@@]2([C@]([C@](CC[C@]3([C@@](C(O[C@@]23[H])=O)(C)[H])[H])(C)[H])([C@](C1)(OCC)[H])O)C)[H] |
| SPLASH | splash10-0006-0940000000-b31f1860bd27074b1b26 |
| Source of Spectrum | F-55-6590-5 |
| Synonyms | (3S,3aS,6S,6aR,7S,9S,9aS,9bR)-7-Ethoxy-6a,9-dihydroxy-3,6,9a-trimethyl-decahydro-azuleno[4,5-b]furan-2-one (3S,3aS,6S,6aR,7S,9S,9aS,9bR)-7-ethoxy-6a,9-dihydroxy-3,6,9a-trimethyldecahydroazuleno[4,5-b]furan-2(3H)-one (3S,3aS,6S,6aR,7S,9S,9aS,9bR)-7-ethoxy-3,6,9a-trimethyl-6a,9-bis(oxidanyl)-3a,4,5,6,7,8,9,9b-octahydro-3H-azuleno[4,5-b]furan-2-one |
| Wiley ID | 838032 |