| SpectraBase Spectrum ID |
KVNIRO960LJ |
| Name |
7.ALPHA.-METHYL-ESTR-4-ENE-17.BETA.-OL-3-ONE(3-O-METHYLOXIME) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| InChI |
InChI=1S/C20H31NO2/c1-12-10-13-11-14(21-23-3)4-5-15(13)16-8-9-20(2)17(19(12)16)6-7-18(20)22/h11-12,15-19,22H,4-10H2,1-3H3/b21-14+/t12-,15+,16-,17+,18+,19-,20+/m1/s1 |
| InChIKey |
NKOARWMKVNDGPQ-ZPKLNOGVSA-N |
| Molecular Weight |
317.473 g/mol |
| Nominal Mass |
317 u |
| Number of Peaks |
138 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3([C@@](CC4=C\C(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=N\OC)(C)[H])[H])[H])[H] |
| SPLASH |
splash10-014i-8669000000-b73e598f868eb248a967 |
| Source File Reference |
LMCM-47620-960F |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-HYDROXY-7-METHYLESTR-4-EN-3-ONE O-METHYLOXIME
(1S,3aS,3bR,4R,9aR,9bS,11aS,E)-17-hydroxy-7,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one O-methyl oxime |
| Wiley ID |
4_1389 |
