N-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethyl-but-2-enamide

SpectraBase Compound ID	JKhdraXnIQR
InChI	InChI=1S/C29H50N2O2/c1-18(2)15-27(33)31(8)21-13-14-28(4)20(16-21)9-10-22-24-12-11-23(19(3)30(6)7)29(24,5)26(32)17-25(22)28/h15,19-26,32H,9-14,16-17H2,1-8H3/t19-,20-,21+,22-,23+,24-,25-,26+,28-,29+/m0/s1
InChIKey	IJOMVKHDFSLVTI-LSUONCMQSA-N Google Search
Mol Weight	458.7 g/mol
Molecular Formula	C29H50N2O2
Exact Mass	458.387229 g/mol

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SpectraBase Spectrum ID	CgNhyF6m4kU
Name	N-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethyl-but-2-enamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H50N2O2
InChI	InChI=1S/C29H50N2O2/c1-18(2)15-27(33)31(8)21-13-14-28(4)20(16-21)9-10-22-24-12-11-23(19(3)30(6)7)29(24,5)26(32)17-25(22)28/h15,19-26,32H,9-14,16-17H2,1-8H3/t19-,20-,21+,22-,23+,24-,25-,26+,28-,29+/m0/s1
InChIKey	IJOMVKHDFSLVTI-LSUONCMQSA-N
Molecular Weight	458.731 g/mol
SMILES	O[C@]1([C@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C1)[H])(CC[C@@](N(C(C=C(C)C)=O)C)(C4)[H])C)[H])[H])(CC[C@@]2([C@@](N(C)C)(C)[H])[H])[H])C)[H]
SPLASH	splash10-0a4i-0900200000-d9e470760e8a26d5b00f
Source of Spectrum	F-56-3137-5
Synonyms	N-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethyl-2-butenamide N-[(3R,5S,8R,9S,10S,12R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N,3-dimethyl-but-2-enamide
Wiley ID	856960