| SpectraBase Compound ID | BYNNh8G7bGd |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,24+,25-/m1/s1 |
| InChIKey | FKEDTKXWEOKYFM-VPXJZYEMSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C25H42O3 |
| Exact Mass | 390.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LuQ3DfLCkHK |
|---|---|
| Name | (4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester |
| CAS Registry Number | 28050-18-2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-22,26H,5-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-,24+,25-/m1/s1 |
| InChIKey | FKEDTKXWEOKYFM-VPXJZYEMSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | O[C@]1([C@]2([C@]([C@@]3(CC[C@]4([C@]([C@]3(C1)[H])(C)CCCC4)[H])[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-0a4i-0091000000-4f68c2fda0256c7f6a50 |
| Source of Spectrum | KO-9-474-1 |
| Synonyms | (4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5S,8R,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Wiley ID | 1365141 |