| SpectraBase Spectrum ID |
DcqHa675Z10 |
| Name |
19-Norpregna-1,3,5(10)-triene-20-carboxaldehyde, 20-hydroxy-3-methoxy- |
| Alternate Name(s) |
2-Hydroxy-2-[(17beta)-3-methoxyestra-1,3,5(10)-trien-17-yl]propanal
20-Hydroxy-3-methoxy-19-norpregna-1,3,5(10)-triene-20-carboxaldehyde |
| CAS Registry Number |
68550-61-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O3 |
| InChI |
InChI=1S/C22H30O3/c1-21-11-10-17-16-7-5-15(25-3)12-14(16)4-6-18(17)19(21)8-9-20(21)22(2,24)13-23/h5,7,12-13,17-20,24H,4,6,8-11H2,1-3H3/t17-,18-,19+,20+,21+,22?/m1/s1 |
| InChIKey |
HYRPBRQYRJXNSI-YTFGSMCFSA-N |
| Molecular Weight |
342.479 g/mol |
| SMILES |
OC([C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC1)[H])C)[H])(C=O)C |
| SPLASH |
splash10-01vp-0609000000-311ae5fa726890f44c8f |
| Source of Spectrum |
J-44-708-0 |
| Wiley ID |
1336929 |
