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Scutianine E
SpectraBase Compound ID Dx2u7OuC8zJ
InChI InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-
InChIKey YCOHIMQJGPGODE-VXPUYCOJSA-N
Mol Weight 584.7 g/mol
Molecular Formula C34H40N4O5
Exact Mass 584.29987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21xsaBOqikO
Name 2-(Dimethylamino)-N-[7-[hydroxy(phenyl)methyl]-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
CAS Registry Number 53797-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40N4O5
InChI InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-
InChIKey YCOHIMQJGPGODE-VXPUYCOJSA-N
Molecular Weight 584.717 g/mol
SMILES N1C(C(C(O)c2ccccc2)NC(C(C(C(C)C)Oc2ccc(\C=C/1)cc2)NC(=O)C(Cc1ccccc1)N(C)C)=O)=O
SPLASH splash10-0002-1900000000-2e9a2a3918cab38a9f13
Source of Spectrum W5-0-0-0
Synonyms Benzenepropanamide, .alpha.-(dimethylamino)-N-[7-(hydroxyphenylmethyl)-3-(1-methylethyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4R*(S*),7R*(S*)]]- 2-(dimethylamino)-N-[(2Z)-6-[hydroxy(phenyl)methyl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenylpropanamide 2-(dimethylamino)-N-[(2Z)-6-[hydroxy(phenyl)methyl]-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenyl-propanamide N-[(2Z)-5,8-bis(oxidanylidene)-6-[oxidanyl(phenyl)methyl]-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-phenyl-propanamide
Wiley ID 1408867