5-[4'-(Dimethylamino)phenyl]-4,5,6,7,8,8a,9,10-octahydro-7-methyl-8-(3"-oxo-4"-hexynyl)-2-(3H)-phenanthrenone

SpectraBase Compound ID	CyGgc2iZAVZ
InChI	InChI=1S/C29H35NO2/c1-5-6-23(31)12-15-25-19(2)17-28(20-7-10-22(11-8-20)30(3)4)29-26-16-13-24(32)18-21(26)9-14-27(25)29/h7-8,10-11,18-19,25,27-28H,9,12-17H2,1-4H3
InChIKey	PYLLDZCDUVFPFS-UHFFFAOYSA-N Google Search
Mol Weight	429.6 g/mol
Molecular Formula	C29H35NO2
Exact Mass	429.266779 g/mol

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SpectraBase Spectrum ID	16nMLGzlO40
Name	5-[4'-(Dimethylamino)phenyl]-4,5,6,7,8,8a,9,10-octahydro-7-methyl-8-(3"-oxo-4"-hexynyl)-2-(3H)-phenanthrenone
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H35NO2
InChI	InChI=1S/C29H35NO2/c1-5-6-23(31)12-15-25-19(2)17-28(20-7-10-22(11-8-20)30(3)4)29-26-16-13-24(32)18-21(26)9-14-27(25)29/h7-8,10-11,18-19,25,27-28H,9,12-17H2,1-4H3
InChIKey	PYLLDZCDUVFPFS-UHFFFAOYSA-N
Molecular Weight	429.604 g/mol
SMILES	C12=C3C(=CC(CC3)=O)CCC1C(CCC(C#CC)=O)C(CC2c1ccc(cc1)N(C)C)C
SPLASH	splash10-0a4i-9410000000-3b651a9e73225a45a5a5
Source of Spectrum	D8-327-811-3
Synonyms	5-[4-(dimethylamino)phenyl]-7-methyl-8-(3-oxo-4-hexynyl)-4,5,6,7,8,8a,9,10-octahydro-2(3H)-phenanthrenone
Wiley ID	1515437