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Acetic acid, 2-[[[3-hydroxyestra-1(10),2,4-trien-17-ylidene]amino]oxy]-
SpectraBase Compound ID J4R6o6dQEe5
InChI InChI=1S/C20H25NO4/c1-20-9-8-15-14-5-3-13(22)10-12(14)2-4-16(15)17(20)6-7-18(20)21-25-11-19(23)24/h3,5,10,15-17,22H,2,4,6-9,11H2,1H3,(H,23,24)/b21-18+
InChIKey UZKYYNQEKCAXLJ-DYTRJAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6t7ov124jo
Name Acetic acid, 2-[[[3-hydroxyestra-1(10),2,4-trien-17-ylidene]amino]oxy]-
Alternate Name(s) (E)-2-(((3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-ylidene)amino)oxy)acetic acid 2-[(E)-(13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)amino]oxyethanoic acid
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Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-20-9-8-15-14-5-3-13(22)10-12(14)2-4-16(15)17(20)6-7-18(20)21-25-11-19(23)24/h3,5,10,15-17,22H,2,4,6-9,11H2,1H3,(H,23,24)/b21-18+
InChIKey UZKYYNQEKCAXLJ-DYTRJAOYSA-N
Molecular Weight 343.423 g/mol
SMILES Oc1cc2c(C3C(C4CC\C(=N/OCC(=O)O)C4(CC3)C)CC2)cc1
SPLASH splash10-014i-4972000000-b9f21ae19281aa1cabd2
Source of Spectrum JX-2015-3-903
Wiley ID 1724432