(E,E)-17.beta.[3-[(2-Aminoethoxy)imino]-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate

SpectraBase Compound ID	LbijksIZY6g
InChI	InChI=1S/C24H40N2O3/c1-22-10-8-19(27)16-18(22)5-6-21-20(22)9-11-23(2)17(7-12-24(21,23)28)4-3-14-26-29-15-13-25/h3-4,14,17-21,27-28H,5-13,15-16,25H2,1-2H3/b4-3+,26-14+/t17-,18+,19-,20-,21+,22-,23+,24-/m0/s1
InChIKey	JHVKYSPGICHFOW-VSICNCOUSA-N Google Search
Mol Weight	404.6 g/mol
Molecular Formula	C24H40N2O3
Exact Mass	404.303893 g/mol

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SpectraBase Spectrum ID	3npAbVwvyK
Name	(E,E)-17.beta.[3-[(2-Aminoethoxy)imino]-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol oxalate
Alternate Name(s)	(1S,2S,5S,7R,10R,11S,14R,15R)-14-[(1E,3E)-3-[(2-aminoethoxy)imino]prop-1-en-1-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,11-diol (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethoxyimino)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,3E)-3-(2-azanylethoxyimino)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
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H40N2O3
InChI	InChI=1S/C24H40N2O3/c1-22-10-8-19(27)16-18(22)5-6-21-20(22)9-11-23(2)17(7-12-24(21,23)28)4-3-14-26-29-15-13-25/h3-4,14,17-21,27-28H,5-13,15-16,25H2,1-2H3/b4-3+,26-14+/t17-,18+,19-,20-,21+,22-,23+,24-/m0/s1
InChIKey	JHVKYSPGICHFOW-VSICNCOUSA-N
Molecular Weight	404.595 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\OCCN)[H])O)C)[H])C)[H]
SPLASH	splash10-0fb9-0006900000-58e96ad4c3db5f2dd90a
Source of Spectrum	F2-43-2343-19
Wiley ID	1600735