| SpectraBase Compound ID | 6V7XdbXQc7q |
|---|---|
| InChI | InChI=1S/C26H42O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-22,24H,6-14,16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-/m1/s1 |
| InChIKey | ZFLQJHMGKHRDTI-CPGYIKTFSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C26H42O2 |
| Exact Mass | 386.318481 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9iAHtbGME4N |
|---|---|
| Name | 3-Oxacholest-5-en-7-one |
| Alternate Name(s) | (1R,3aS,3bS,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-2,3,3a,3b,6,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]isochromen-4-one (1R,3aS,3bS,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-2,3,3a,3b,6,8,9,9b,10,11-decahydro-1H-inden[5,4-f]isochromen-4-one (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,6,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]isochromen-4-one (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,6,8,9,9b,10,11-decahydro-1H-indeno[5,4-f][2]benzopyran-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H42O2 |
| InChI | InChI=1S/C26H42O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-22,24H,6-14,16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-/m1/s1 |
| InChIKey | ZFLQJHMGKHRDTI-CPGYIKTFSA-N |
| Molecular Weight | 386.620 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CCOC4)C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0050-0729000000-80c3078a92814df89199 |
| Source of Spectrum | KC-1992-3123-9 |
| Wiley ID | 777336 |