| SpectraBase Compound ID | 6104e8uIwm5 |
|---|---|
| InChI | InChI=1S/C25H42O3/c1-16(8-11-22(27)28-4)18-9-10-19-23-20(12-14-25(18,19)3)24(2)13-6-5-7-17(24)15-21(23)26/h16-21,23,26H,5-15H2,1-4H3/t16-,17+,18-,19+,20+,21-,23+,24+,25-/m1/s1 |
| InChIKey | SLMFZEZJHJUPDN-IGANSQQNSA-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 | 31YyP5t862b |
|---|---|
| Name | (4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-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 | 28050-19-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O3 |
| InChI | InChI=1S/C25H42O3/c1-16(8-11-22(27)28-4)18-9-10-19-23-20(12-14-25(18,19)3)24(2)13-6-5-7-17(24)15-21(23)26/h16-21,23,26H,5-15H2,1-4H3/t16-,17+,18-,19+,20+,21-,23+,24+,25-/m1/s1 |
| InChIKey | SLMFZEZJHJUPDN-IGANSQQNSA-N |
| Molecular Weight | 390.608 g/mol |
| SMILES | O[C@]1([C@]2([C@]3([C@@]([C@](CC3)([C@@](CCC(=O)OC)(C)[H])[H])(CC[C@@]2([C@@]2([C@](CCCC2)([H])C1)C)[H])C)[H])[H])[H] |
| SPLASH | splash10-05fr-0098000000-81f48cb382599cb4b81a |
| Source of Spectrum | KO-9-474-1 |
| Synonyms | (4R)-4-[(5S,7R,8R,9S,10S,13R,14S,17R)-7-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,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-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,7R,8R,9S,10S,13R,14S,17R)-7-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 | 1365139 |