| SpectraBase Spectrum ID |
DRruLA5IrDV |
| Name |
3-METHYLENEANDROSTA-1,4-DIEN-17-ONE |
| CAS Registry Number |
111660-89-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
282.198365456 u |
| Formula |
C20H26O |
| InChI |
InChI=1S/C20H26O/c1-13-8-10-19(2)14(12-13)4-5-15-16-6-7-18(21)20(16,3)11-9-17(15)19/h8,10,12,15-17H,1,4-7,9,11H2,2-3H3/t15-,16-,17-,19-,20-/m0/s1 |
| InChIKey |
MYVNEGIKJOXOIB-TXTPUJOMSA-N |
| Molecular Weight |
282.427 g/mol |
| Nominal Mass |
282 u |
| Number of Peaks |
202 |
| SMILES |
C1(C=C[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCC2=C1)[H])[H])=O)C)[H])C)=C |
| SPLASH |
splash10-014i-2910000000-631459894f439f1001d5 |
| Source File Reference |
LMCM-80551-111R |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
ANDROSTA-1,4-DIEN-17-ON, 3-METHYLEN-
(1S,2R,10R,11S,15S)-2,15-dimethyl-5-methylidenetetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-3,6-dien-14-one |
| Wiley ID |
8_24838 |
