SpectraBase Spectrum ID |
9YXGEMbY3AZ |
Name |
5.ALPHA.-ANDROSTANE-3,7,11,16-TETRAONE(3,7,16-TRI-O-METHYLOXIME) |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
403.247106551 u |
Formula |
C22H33N3O4 |
InChI |
InChI=1S/C22H33N3O4/c1-21-11-15(24-28-4)10-16(21)19-17(25-29-5)9-13-8-14(23-27-3)6-7-22(13,2)20(19)18(26)12-21/h13,16,19-20H,6-12H2,1-5H3/b23-14+,24-15-,25-17+/t13-,16+,19-,20+,21+,22+/m1/s1 |
InChIKey |
PSEVBSMEVYHMLP-HKFWSOSVSA-N |
Molecular Weight |
403.523 g/mol |
Nominal Mass |
403 u |
Number of Peaks |
222 |
SMILES |
C1\C(C[C@@]2(C\C([C@]3([C@@]4(C\C(C[C@]4(CC([C@@]3([C@]2(C1)C)[H])=O)C)=N/OC)[H])[H])=N\OC)[H])=N/OC |
SPLASH |
splash10-0udi-3794600000-95662c60f402bf20cad3 |
Source File Reference |
LMCM-22307-481Q |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
ANDROSTANE-3,7,11,16-TETRONE 3,7,16-TRIS(O-METHYLOXIME)
(3E,5R,7E,8S,9S,10S,13S,14S,16Z)-3,7,16-tris(methoxyimino)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-11(2H)-one |
Wiley ID |
4_1263 |