SpectraBase Spectrum ID |
9nOszLX5MpT |
Name |
ANDROST-4-ENE-3-ONE |
CAS Registry Number |
2872-90-4 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
272.214015521 u |
Formula |
C19H28O |
InChI |
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h12,15-17H,3-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1 |
InChIKey |
MSEZLHAVPJYYIQ-VMXHOPILSA-N |
Molecular Weight |
272.432 g/mol |
Nominal Mass |
272 u |
Number of Peaks |
64 |
SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCC2=C1)[H])[H])C)[H])C)=O |
SPLASH |
splash10-00di-7940000000-5679faaf608a563fae26 |
Source File Reference |
LMCM-96134-418P |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
ANDROST-4-EN-3-ONE
(8S,9S,10R,13S,14S)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
Wiley ID |
4_334 |