| SpectraBase Spectrum ID |
ASflMQvIHQh |
| Name |
5.ALPHA.-ANDROSTAN-12.BETA.-OL-2,6,16-TRIONE-2,6,16-TRI-(O-METHYLOXIME) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
405.262756615 u |
| Formula |
C22H35N3O4 |
| InChI |
InChI=1S/C22H35N3O4/c1-21-11-13(23-27-3)6-7-16(21)19(25-29-5)9-15-17-8-14(24-28-4)12-22(17,2)20(26)10-18(15)21/h15-18,20,26H,6-12H2,1-5H3/b23-13+,24-14-,25-19+/t15-,16+,17-,18-,20+,21-,22+/m0/s1 |
| InChIKey |
QBANRWLWKBVLSM-JZCZSIEXSA-N |
| Molecular Weight |
405.539 g/mol |
| Nominal Mass |
405 u |
| Number of Peaks |
87 |
| SMILES |
O[C@]1([C@@]2(C\C(C[C@]2([C@@]2(C\C([C@]3(CC\C(C[C@@]3([C@]2(C1)[H])C)=N/OC)[H])=N/OC)[H])[H])=N/OC)C)[H] |
| SPLASH |
splash10-0a4i-2349700000-db9cc2385ce1509f133f |
| Source File Reference |
LMCM-33393-577V |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
12-HYDROXYANDROSTANE-2,6,16-TRIONE TRIS(O-METHYLOXIME)
(2Z,3aS,3bR,5E,5aS,8E,9aR,9bS,11R,11aR)-12-hydroxy-10,13-dimethyldecahydro-1H-cyclopenta[a]phenanthrene-2,6,16(3H,9H,10H)-trione O,O,O-trimethyl trioxime |
| Wiley ID |
4_2953 |
