| SpectraBase Spectrum ID |
D5zmjaigiZa |
| Name |
ESTRA-1,3,5(10)-TRIENE-3-OL-6,17-DIONE(6,17-DI-O-METHYLOXIME) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
342.194342702 u |
| Formula |
C20H26N2O3 |
| InChI |
InChI=1S/C20H26N2O3/c1-20-9-8-14-13-5-4-12(23)10-16(13)18(21-24-2)11-15(14)17(20)6-7-19(20)22-25-3/h4-5,10,14-15,17,23H,6-9,11H2,1-3H3/b21-18-,22-19+/t14-,15-,17+,20+/m1/s1 |
| InChIKey |
HJPWHUMRJFAYRG-OWOFFFMHSA-N |
| Molecular Weight |
342.439 g/mol |
| Nominal Mass |
342 u |
| Number of Peaks |
99 |
| SMILES |
Oc1ccc2[C@]3(CC[C@@]4(\C(CC[C@]4([C@@]3(C\C(c2c1)=N\OC)[H])[H])=N\OC)C)[H] |
| SPLASH |
splash10-03kc-3697000000-839daaead07458392e8b |
| Source File Reference |
LMCM-26150-816G |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-HYDROXYESTRA-1(10),2,4-TRIENE-6,17-DIONE BIS(O-METHYLOXIME)
(1E,3aS,3bR,5Z,9bS,11aS)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-6,17(14H)-dione O,O-dimethyl dioxime |
| Wiley ID |
4_1442 |
