| SpectraBase Spectrum ID |
D8hkftBOB7M |
| Name |
16.beta.-(Acetoxymethyl)-3-methoxy-13.alpha.-estra-1,3,5(10)-trien-17.alpha.-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c1-13(23)26-12-15-11-20-19-6-4-14-10-16(25-3)5-7-17(14)18(19)8-9-22(20,2)21(15)24/h5,7,10,15,18-21,24H,4,6,8-9,11-12H2,1-3H3/t15-,18-,19-,20+,21-,22-/m1/s1 |
| InChIKey |
SCYCPCSGKWLNJQ-SHIYXCHUSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
O[C@@]1([C@](C[C@]2([C@@]3(CCc4cc(ccc4[C@]3(CC[C@@]12C)[H])OC)[H])[H])(COC(=O)C)[H])[H] |
| SPLASH |
splash10-0a4i-1009000000-09a8f03f0206ca0977e3 |
| Source of Spectrum |
G-68-1146-5 |
| Synonyms |
[(13alpha,16beta,17alpha)-17-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-yl]methyl acetate |
| Wiley ID |
1520471 |
