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(E,E)-17.beta.[3-(2-Dimethylaminoethoxy)imino-2-methyl-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol fumarate

View entire compound with spectra: 1 MS (GC)

(E,E)-17.beta.[3-(2-Dimethylaminoethoxy)imino-2-methyl-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol fumarate
SpectraBase Compound ID 79m5FYBHTGu
InChI InChI=1S/C27H46N2O3/c1-19(18-28-32-15-14-29(4)5)16-21-8-13-27(31)24-7-6-20-17-22(30)9-11-25(20,2)23(24)10-12-26(21,27)3/h16,18,20-24,30-31H,6-15,17H2,1-5H3/b19-16+,28-18+/t20-,21-,22+,23+,24-,25+,26-,27+/m1/s1
InChIKey STVMVMIOOIYJIL-VNRYKJNBSA-N
Mol Weight 446.7 g/mol
Molecular Formula C27H46N2O3
Exact Mass 446.350843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BopMpi1JElj
Name (E,E)-17.beta.[3-(2-Dimethylaminoethoxy)imino-2-methyl-1-propenyl]-5.beta.-androstane-3.beta.,14.beta.-diol fumarate
Alternate Name(s) (1S,2S,5S,7R,10R,11S,14R,15R)-14-[(1E)-2-[(1E)-{[2-(dimethylamino)ethoxy]imino}methyl]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-dimethylaminoethyloximino)-2-methyl-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-dimethylaminoethyloxyimino)-2-methyl-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-(dimethylamino)ethoxyimino]-2-methylprop-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-(dimethylamino)ethoxyimino]-2-methyl-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
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Formula C27H46N2O3
InChI InChI=1S/C27H46N2O3/c1-19(18-28-32-15-14-29(4)5)16-21-8-13-27(31)24-7-6-20-17-22(30)9-11-25(20,2)23(24)10-12-26(21,27)3/h16,18,20-24,30-31H,6-15,17H2,1-5H3/b19-16+,28-18+/t20-,21-,22+,23+,24-,25+,26-,27+/m1/s1
InChIKey STVMVMIOOIYJIL-VNRYKJNBSA-N
Molecular Weight 446.676 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@](CC[C@@]4(\C=C\(\C=N\OCCN(C)C)C)[H])([C@@]3(CC[C@@]2(C1)[H])[H])O)C)[H])C)[H]
SPLASH splash10-0a4i-9030000000-b29e533658dccf222af6
Source of Spectrum F2-43-2343-23
Wiley ID 1600731