| SpectraBase Spectrum ID |
INwZNrYJiay |
| Name |
endo-7-Isopropyl-6-methoxy-1,1-dimethyl-10-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carbonitrile |
| Alternate Name(s) |
exo-7-Isopropyl-6-methoxy-1,1-dimethyl-10-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carbonitrile
(4aS,10S,10aS)-7-Isopropyl-6-methoxy-1,1-dimethyl-10-phenyl-1,3,4,9,10,10a-hexahydro-2H-phenanthrene-4a-carbonitrile
(4aS,10R,10aR)-7-Isopropyl-6-methoxy-1,1-dimethyl-10-phenyl-1,3,4,9,10,10a-hexahydro-2H-phenanthrene-4a-carbonitrile |
| Comments |
Note: The molecular formula of the structure shown is C27H33NO - which differs from the formula reported for the mass spectrum (C27H33NO3S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H33NO3S |
| InChI |
InChI=1S/C27H33NO/c1-18(2)21-14-20-15-22(19-10-7-6-8-11-19)25-26(3,4)12-9-13-27(25,17-28)23(20)16-24(21)29-5/h6-8,10-11,14,16,18,22,25H,9,12-13,15H2,1-5H3 |
| InChIKey |
RVNATUFMTYHXNK-UHFFFAOYSA-N |
| Molecular Weight |
387.567 g/mol |
| SMILES |
C1(CCCC2(c3cc(c(cc3CC(C12)c1ccccc1)C(C)C)OC)C#N)(C)C |
| SPLASH |
splash10-0a6r-5159000000-12f982d994560af3f951 |
| Source of Spectrum |
KC-0-3533-6 |
| Wiley ID |
823898 |
