SpectraBase Spectrum ID |
5HZEqkvsDVR |
Name |
17.BETA.-ACETOXY-ANDROSTA-4,6-DIENE-3-ONE |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
328.203844759 u |
Formula |
C21H28O3 |
InChI |
InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1 |
InChIKey |
PWOYPXRFSUICCT-PXQJOHHUSA-N |
Molecular Weight |
328.452 g/mol |
Nominal Mass |
328 u |
Number of Peaks |
107 |
SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(C=CC2=C1)[H])[H])(OC(=O)C)[H])C)[H])C)=O |
SPLASH |
splash10-000f-6921000000-d0a684a3f56d428d47e0 |
Source File Reference |
LMCM-45891-298P |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
3-OXOANDROSTA-4,6-DIEN-17-YL ACETATE
(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate |
Wiley ID |
4_141 |