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21H-Biline-3-acetamide, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18-heptamethyl-1,19-dioxo-N-(1-phenylethyl)-, [3S(R)]-
SpectraBase Compound ID zjzO6NqTlD
InChI InChI=1S/C38H45N5O3/c1-10-27-24(6)36(45)42-33(27)18-31-22(4)20(2)29(40-31)17-30-21(3)23(5)32(41-30)19-34-28(38(8,9)37(46)43-34)16-35(44)39-25(7)26-14-12-11-13-15-26/h11-15,17-19,25,28,34H,10,16H2,1-9H3,(H,39,44)(H,42,45)(H,43,46)/b29-17-,32-19-,33-18-
InChIKey XLGJEBPEBOTFRM-PMGNOBLMSA-N
Mol Weight 619.8 g/mol
Molecular Formula C38H45N5O3
Exact Mass 619.35224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 581vRfI4s95
Name 21H-Biline-3-acetamide, 17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18-heptamethyl-1,19-dioxo-N-(1-phenylethyl)-, [3S(R)]-
CAS Registry Number 100992-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H45N5O3
InChI InChI=1S/C38H45N5O3/c1-10-27-24(6)36(45)42-33(27)18-31-22(4)20(2)29(40-31)17-30-21(3)23(5)32(41-30)19-34-28(38(8,9)37(46)43-34)16-35(44)39-25(7)26-14-12-11-13-15-26/h11-15,17-19,25,28,34H,10,16H2,1-9H3,(H,39,44)(H,42,45)(H,43,46)/b29-17-,32-19-,33-18-
InChIKey XLGJEBPEBOTFRM-PMGNOBLMSA-N
Molecular Weight 619.810 g/mol
SMILES N1C(C(=C(\C1=C/C1=N\C(=C/C2=N\C(=C/C3C(CC(NC(c4ccccc4)C)=O)C(C)(C)C(N3)=O)C(=C2C)C)C(=C1C)C)CC)C)=O
SPLASH splash10-004i-0910001000-685e0bf82865f6a833c2
Source of Spectrum AH-116-1077-8
Synonyms (3R)-(4Z,9Z,15Z)-17-ethyl-1,19-dioxo-2,2,7,8,12,13,18-heptamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-3-(R)-1-phenylethyl-acetamide (3S)-(4Z,9Z,15Z)-17-ethyl-1,19-dioxo-2,2,7,8,12,13,18-heptamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-3-(R)-1-phenylethyl-acetamide 2-(2-{(Z)-[5-((Z)-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene}methyl)-3,4-dimethyl-2H-pyrrol-2-ylidene]methyl}-4,4-dimethyl-5-oxo-3-pyrrolidinyl)-N-(1-phenylethyl)acetamide
Wiley ID 1411494