| SpectraBase Compound ID | 2DqNjizwLCg |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-13(21(24)25-3)19-8-9-20-18-6-4-14-12-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,12-13,17-20,23H,4,6,8-11H2,1-3H3 |
| InChIKey | RCTUDKDMOZNHIY-UHFFFAOYSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aw47FIRJoXK |
|---|---|
| Name | 19-Norpregna-1,3,5(10)-triene-20.alpha.-carboxylic acid, 3-hydroxy-, methyl ester |
| CAS Registry Number | 20248-21-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-13(21(24)25-3)19-8-9-20-18-6-4-14-12-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,12-13,17-20,23H,4,6,8-11H2,1-3H3 |
| InChIKey | RCTUDKDMOZNHIY-UHFFFAOYSA-N |
| Molecular Weight | 342.479 g/mol |
| SMILES | Oc1ccc2c(c1)CCC1C2CCC2(C)C1CCC2C(C)C(=O)OC |
| SPLASH | splash10-01ox-0933000000-fe125834213c1881434a |
| Source of Spectrum | T-68-4934-0 |
| Synonyms | Methyl 2-[3-hydroxyestra-1,3,5(10)-trien-17-yl]propanoate 2-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoic acid methyl ester 2-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propionic acid methyl ester Methyl 2-(13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoate Methyl 2-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoate |
| Wiley ID | 1336909 |