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2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-1-[4-[2-(methylamino)-4-nitrophenoxy]butyl]-, [1S-[1.alpha.(S*),2.alpha.,5.beta.]]-

View entire compound with spectra: 1 MS (GC)

2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-1-[4-[2-(methylamino)-4-nitrophenoxy]butyl]-, [1S-[1.alpha.(S*),2.alpha.,5.beta.]]-
SpectraBase Compound ID Fx98JPNGRHW
InChI InChI=1S/C26H37N3O7/c1-16-10-17(2)26(33)20(11-16)22(30)12-18-13-24(31)28(25(32)14-18)8-4-5-9-36-23-7-6-19(29(34)35)15-21(23)27-3/h6-7,15-18,20,22,27,30H,4-5,8-14H2,1-3H3/t16-,17?,20+,22-/m1/s1
InChIKey XBACAEYDJHKKHC-GMXLRDHGSA-N
Mol Weight 503.6 g/mol
Molecular Formula C26H37N3O7
Exact Mass 503.263151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S9N7icxLaU
Name 2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-1-[4-[2-(methylamino)-4-nitrophenoxy]butyl]-, [1S-[1.alpha.(S*),2.alpha.,5.beta.]]-
CAS Registry Number 107953-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37N3O7
InChI InChI=1S/C26H37N3O7/c1-16-10-17(2)26(33)20(11-16)22(30)12-18-13-24(31)28(25(32)14-18)8-4-5-9-36-23-7-6-19(29(34)35)15-21(23)27-3/h6-7,15-18,20,22,27,30H,4-5,8-14H2,1-3H3/t16-,17?,20+,22-/m1/s1
InChIKey XBACAEYDJHKKHC-GMXLRDHGSA-N
Molecular Weight 503.596 g/mol
SMILES O[C@](CC1CC(N(CCCCOc2ccc(cc2NC)N(=O)=O)C(C1)=O)=O)([C@]1(C(C(C)C[C@](C1)(C)[H])=O)[H])[H]
SPLASH splash10-014i-3910000000-0b1f57365960a459b4a6
Source of Spectrum F-42-4082-15
Synonyms 4-{(2R)-2-[(1S,5R)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-1-{4-[2-(methylamino)-4-nitrophenoxy]butyl}-2,6-piperidinedione N-(4-(2-methylamino-4-nitrophenoxy)butylcycloheximide
Wiley ID 1399393