| SpectraBase Spectrum ID |
LS5GbQOTS39 |
| Name |
[1S-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,8a.beta.,10a.alpha.)]-7-(Acetyloxy)tetradecahydro-4b-methyl-2-oxo-1-phenanthrenepropanenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H29NO3 |
| InChI |
InChI=1S/C20H29NO3/c1-13(22)24-15-9-10-20(2)14(12-15)5-6-16-17(4-3-11-21)19(23)8-7-18(16)20/h14-18H,3-10,12H2,1-2H3/t14-,15-,16-,17-,18-,20-/m0/s1 |
| InChIKey |
WMVKISOXCNNRJJ-CPVUPJMFSA-N |
| Molecular Weight |
331.456 g/mol |
| SMILES |
[C@]12([C@@]3([C@@]([C@@](CCC#N)([H])C(CC3)=O)([H])CC[C@]1(C[C@@](OC(=O)C)(CC2)[H])[H])[H])C |
| SPLASH |
splash10-0006-9000000000-8f5b4fc0fa3f13cc611f |
| Source of Spectrum |
J-65-3556-6 |
| Synonyms |
(2S,4aS,4bS,8S,8aR,10aS)-8-(2-cyanoethyl)-4a-methyl-7-oxotetradecahydro-2-phenanthrenyl acetate |
| Wiley ID |
1532381 |
![[1S-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,8a.beta.,10a.alpha.)]-7-(Acetyloxy)tetradecahydro-4b-methyl-2-oxo-1-phenanthrenepropanenitrile](/api/spectrum/LS5GbQOTS39/structure.png?h=300&w=458 "[1S-(1.alpha.,4a.beta.,4b.alpha.,7.alpha.,8a.beta.,10a.alpha.)]-7-(Acetyloxy)tetradecahydro-4b-methyl-2-oxo-1-phenanthrenepropanenitrile")
