| SpectraBase Compound ID | EiWm4xrjFUZ |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-12(21(27)28-4)15-5-6-16-20-17(11-19(26)23(15,16)3)22(2)8-7-14(24)9-13(22)10-18(20)25/h9,12,15-20,25-26H,5-8,10-11H2,1-4H3 |
| InChIKey | VZFNEPJQLWTTKZ-UHFFFAOYSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B38JWjrE8XY |
|---|---|
| Name | Pregn-4-ene-20-carboxylic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (7.alpha.,12.alpha.,20S)- |
| CAS Registry Number | 55741-11-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-12(21(27)28-4)15-5-6-16-20-17(11-19(26)23(15,16)3)22(2)8-7-14(24)9-13(22)10-18(20)25/h9,12,15-20,25-26H,5-8,10-11H2,1-4H3 |
| InChIKey | VZFNEPJQLWTTKZ-UHFFFAOYSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | OC1C2C3C(C(CC2C2(CCC(C=C2C1)=O)C)O)(C(CC3)C(C(OC)=O)C)C |
| SPLASH | splash10-00xr-4941000000-828a7acc3da56bfb32b1 |
| Source of Spectrum | F-25-486-2 |
| Synonyms | 2-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoic acid methyl ester 2-(7,12-dihydroxy-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propionic acid methyl ester Methyl 2-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)propanoate Methyl 2-[10,13-dimethyl-7,12-bis(oxidanyl)-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoate |
| Wiley ID | 1364956 |