21-[(2-Imidazolin-2-yl-(Z)-hydrazono)methyl]-5.beta-pregn-20(E)-ene-3.beta.,14.beta.-diol

SpectraBase Compound ID	DoJYcy2WAaq
InChI	InChI=1S/C25H40N4O2/c1-23-10-8-19(30)16-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)31)4-3-13-28-29-22-26-14-15-27-22/h3-4,13,17-21,30-31H,5-12,14-16H2,1-2H3,(H2,26,27,29)/b4-3+,28-13-/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1
InChIKey	SKHBZFUMZJNFKB-ZTUCLRHFSA-N Google Search
Mol Weight	428.6 g/mol
Molecular Formula	C25H40N4O2
Exact Mass	428.315127 g/mol

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SpectraBase Spectrum ID	367BklraLsP
Name	21-[(2-Imidazolin-2-yl-(Z)-hydrazono)methyl]-5.beta-pregn-20(E)-ene-3.beta.,14.beta.-diol
Alternate Name(s)	(1S,2S,5S,7R,10R,11S,14R,15R)-14-[(1E,3Z)-3-[2-(4,5-dihydro-1H-imidazol-2-yl)hydrazin-1-ylidene]prop-1-en-1-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,11-diol 21-[(2-Imidazolin-2-yl-(Z)-hydrazono)methyl]-5..beta.-pregn-20(E)-ene-3.beta.,14.beta.-diol (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3Z)-3-(4,5-dihydro-1H-imidazol-2-ylhydrazono)prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3Z)-3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H40N4O2
InChI	InChI=1S/C25H40N4O2/c1-23-10-8-19(30)16-18(23)5-6-21-20(23)9-11-24(2)17(7-12-25(21,24)31)4-3-13-28-29-22-26-14-15-27-22/h3-4,13,17-21,30-31H,5-12,14-16H2,1-2H3,(H2,26,27,29)/b4-3+,28-13-/t17-,18+,19-,20-,21+,23-,24+,25-/m0/s1
InChIKey	SKHBZFUMZJNFKB-ZTUCLRHFSA-N
Molecular Weight	428.621 g/mol
SMILES	O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(\C=C\C=N/NC1=NCCN1)[H])O)C)[H])C)[H]
SPLASH	splash10-000i-0900000000-00028cefbf70a9657a01
Source of Spectrum	F2-40-3487-6
Wiley ID	1599384