| SpectraBase Compound ID | HjD6f4NQIle |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-17(15-18(29)16-28)19-9-13-27(6)21-7-8-22-24(2,3)23(30)11-12-25(22,4)20(21)10-14-26(19,27)5/h7,17,19-20,22,28H,8-16H2,1-6H3/t17-,19-,20-,22-,25+,26-,27+/m0/s1 |
| InChIKey | IPALYVZOVKJMJG-WAWRXQFFSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fj9q6sPhrhq |
|---|---|
| Name | Toonaciliatin L |
| Alternate Name(s) | (5R,9R,10R,13S,14S,17S)-17-[(2S)-5-hydroxy-4-oxopentan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (5R,9R,10R,13S,14S,17S)-17-[(1S)-4-hydroxy-1-methyl-3-oxo-butyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-5-oxidanyl-4-oxidanylidene-pentan-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-17(15-18(29)16-28)19-9-13-27(6)21-7-8-22-24(2,3)23(30)11-12-25(22,4)20(21)10-14-26(19,27)5/h7,17,19-20,22,28H,8-16H2,1-6H3/t17-,19-,20-,22-,25+,26-,27+/m0/s1 |
| InChIKey | IPALYVZOVKJMJG-WAWRXQFFSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | OCC(C[C@@]([C@]1([C@]2([C@@](C=3[C@@]([C@@]4([C@@](C(C(=O)CC4)(C)C)([H])CC3)C)(CC2)[H])(CC1)C)C)[H])(C)[H])=O |
| SPLASH | splash10-0002-3309300000-ebc2ef28815b912c0372 |
| Source of Spectrum | G4-72-688-5 |
| Wiley ID | 1702058 |