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(4Z)-7-(10,11,14,15,15a,16-Hexahydro-9aH-trans-benzo[c]cycloocta[3,4]pyrazolo[1,2-a]-quinolin-16-yl)-4-heptenal
SpectraBase Compound ID 7n2N0J4KbHY
InChI InChI=1S/C28H32N2O/c31-21-13-5-1-2-7-17-27-24-16-6-3-4-8-18-28(24)30-26-20-12-10-15-23(26)22-14-9-11-19-25(22)29(27)30/h1-4,9-12,14-15,19-21,24,27-28H,5-8,13,16-18H2/b2-1-,4-3-/t24-,27?,28+/m0/s1
InChIKey JTYSEMGMBZQOFJ-PMIFFCGMSA-N
Mol Weight 412.6 g/mol
Molecular Formula C28H32N2O
Exact Mass 412.251464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcUesNlWexq
Name (4Z)-7-(10,11,14,15,15a,16-Hexahydro-9aH-trans-benzo[c]cycloocta[3,4]pyrazolo[1,2-a]-quinolin-16-yl)-4-heptenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32N2O
InChI InChI=1S/C28H32N2O/c31-21-13-5-1-2-7-17-27-24-16-6-3-4-8-18-28(24)30-26-20-12-10-15-23(26)22-14-9-11-19-25(22)29(27)30/h1-4,9-12,14-15,19-21,24,27-28H,5-8,13,16-18H2/b2-1-,4-3-/t24-,27?,28+/m0/s1
InChIKey JTYSEMGMBZQOFJ-PMIFFCGMSA-N
Molecular Weight 412.577 g/mol
SMILES C1\C=C/CC[C@@]2([H])N3c4ccccc4-c4ccccc4N3C(CC\C=C/CCC=O)[C@]2([H])C1
SPLASH splash10-03di-0330900000-94a0d1f84071f62083bf
Source of Spectrum K-115-2255-32
Synonyms (Z)-7-((9aR,15aR,Z)-9a,10,14,15,15a,16-hexahydro-11H-benzo[c]cycloocta[3,4]pyrazolo[1,2-a]cinnolin-16-yl)hept-4-enal
Wiley ID 1791974