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(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(2-aminoethoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(2-aminoethoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID DgFtW1i5aat
InChI InChI=1S/C22H40N2O3/c1-20-8-6-17(25)13-15(20)3-4-19-18(20)7-9-21(2)16(5-10-22(19,21)26)14-24-27-12-11-23/h15-19,24-26H,3-14,23H2,1-2H3/t15-,16-,17+,18+,19-,20+,21-,22+/m1/s1
InChIKey PJISMJYBKQJNMY-OBVYMBRASA-N
Mol Weight 380.6 g/mol
Molecular Formula C22H40N2O3
Exact Mass 380.303893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADnOlVoGvXd
Name (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(2-aminoethoxyamino)methyl]-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 C22H40N2O3
InChI InChI=1S/C22H40N2O3/c1-20-8-6-17(25)13-15(20)3-4-19-18(20)7-9-21(2)16(5-10-22(19,21)26)14-24-27-12-11-23/h15-19,24-26H,3-14,23H2,1-2H3/t15-,16-,17+,18+,19-,20+,21-,22+/m1/s1
InChIKey PJISMJYBKQJNMY-OBVYMBRASA-N
Molecular Weight 380.573 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(CNOCCN)[H])O)C)[H])C)[H]
SPLASH splash10-0udi-0090000000-ea02b2bf0c87f06aaa5a
Source of Spectrum F2-43-2344-30
Synonyms (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(2-azanylethoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600725