| SpectraBase Compound ID | DEr64WWJxxW |
|---|---|
| InChI | InChI=1S/C28H37NO3/c1-28-17-16-23-22-12-10-21(29-31-2)18-20(22)9-11-24(23)25(28)13-14-26(28)32-27(30)15-8-19-6-4-3-5-7-19/h3-7,18,22-26H,8-17H2,1-2H3/b29-21+ |
| InChIKey | KXUWVGSNYIPSJB-XHLNEMQHSA-N |
| Mol Weight | 435.6 g/mol |
| Molecular Formula | C28H37NO3 |
| Exact Mass | 435.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DNucOJM4Fcj |
|---|---|
| Name | Estr-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, 3-(O-methyloxime), (17.beta.)- |
| Alternate Name(s) | 3-(Methoxyimino)estr-4-en-17-yl 3-phenylpropanoate 3-Phenylpropanoic acid [(3E)-3-methoxyimino-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester [(3E)-3-methoxyimino-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate |
| CAS Registry Number | 57397-27-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H37NO3 |
| InChI | InChI=1S/C28H37NO3/c1-28-17-16-23-22-12-10-21(29-31-2)18-20(22)9-11-24(23)25(28)13-14-26(28)32-27(30)15-8-19-6-4-3-5-7-19/h3-7,18,22-26H,8-17H2,1-2H3/b29-21+ |
| InChIKey | KXUWVGSNYIPSJB-XHLNEMQHSA-N |
| Molecular Weight | 435.608 g/mol |
| SMILES | CO\N=C/1CCC2C3CCC4(C)C(CCC4C3CCC2=C1)OC(=O)CCc1ccccc1 |
| SPLASH | splash10-0a4i-5930000000-1270507bd619be97d152 |
| Source of Spectrum | W5-35027-30509-30509 |
| Wiley ID | 1383298 |