| SpectraBase Spectrum ID |
2k4Mcmp5GBs |
| Name |
3-METHOXYESTRA-1(10),2,4-TRIEN-17.BETA.-YL ACETATE |
| CAS Registry Number |
2394-16-3 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
328.203844759 u |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-13(22)24-20-9-8-19-18-6-4-14-12-15(23-3)5-7-16(14)17(18)10-11-21(19,20)2/h5,7,12,17-20H,4,6,8-11H2,1-3H3/t17?,18?,19?,20-,21-/m0/s1 |
| InChIKey |
FMNPCVNWRFPDCA-VYJKVFMHSA-N |
| Molecular Weight |
328.452 g/mol |
| Nominal Mass |
328 u |
| Number of Peaks |
230 |
| SMILES |
C(C)(=O)O[C@]1(CCC2C3CCc4cc(ccc4C3CC[C@]12C)OC)[H] |
| SPLASH |
splash10-00bc-4931000000-2e6c61a4d86475aeca52 |
| Source File Reference |
LMCM-28794-587G |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
3-METHOXYESTRA-1(10),2,4-TRIEN-17-YL ACETATE
(14S,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2,4,6-trien-14-yl acetate |
| Wiley ID |
8_20013 |
