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(3S,9S,10S,13R,14S)-17-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID HsjGtEBM2IW
InChI InChI=1S/C34H47ClN2O/c1-33-17-14-29-25(10-7-22-19-24(38)13-16-34(22,29)2)28(33)12-8-21(33)15-18-36-32-26-5-3-4-6-30(26)37-31-20-23(35)9-11-27(31)32/h9,11,20-22,24-25,28-29,38H,3-8,10,12-19H2,1-2H3,(H,36,37)/t21?,22?,24-,25?,28-,29-,33+,34-/m0/s1
InChIKey ATXHCDCTGIXAQY-SFWRQVFRSA-N
Mol Weight 535.2 g/mol
Molecular Formula C34H47ClN2O
Exact Mass 534.337692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGLqeKOuYsf
Name (3S,9S,10S,13R,14S)-17-[2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.337691840 u
Formula C34H47ClN2O
InChI InChI=1S/C34H47ClN2O/c1-33-17-14-29-25(10-7-22-19-24(38)13-16-34(22,29)2)28(33)12-8-21(33)15-18-36-32-26-5-3-4-6-30(26)37-31-20-23(35)9-11-27(31)32/h9,11,20-22,24-25,28-29,38H,3-8,10,12-19H2,1-2H3,(H,36,37)/t21?,22?,24-,25?,28-,29-,33+,34-/m0/s1
InChIKey ATXHCDCTGIXAQY-SFWRQVFRSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 535.216 g/mol
Reported Formula C34H47ClN2O
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CCNC5=C6C(=NC7=C5CCCC7)C=C(C=C6)Cl)CC[C@]4(C3CCC2C1)[H])C)[H])C)[H]
SPLASH splash10-001j-0090070000-957c709691ead61810ab
Source of Spectrum WO2022191092A1
Thin-Layer Chromatography 0.26 (Chloroform/Methanol, 8:1)
Wiley ID 1892742