| SpectraBase Spectrum ID |
1t0mFbdqmXG |
| Name |
ESTR-4-ENE-3,17-DIONE |
| CAS Registry Number |
734-32-7 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
272.177630011 u |
| Formula |
C18H24O2 |
| InChI |
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1 |
| InChIKey |
JRIZOGLBRPZBLQ-QXUSFIETSA-N |
| Molecular Weight |
272.388 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
133 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCC2=C1)[H])[H])=O)C)[H])[H])=O |
| SPLASH |
splash10-00fr-4950000000-f57cf8a53f9c1251135c |
| Source File Reference |
LMCM-98840-388Z |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
(8R,9S,10R,13S,14S)-13-methyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione |
| Wiley ID |
4_2109 |
