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(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(5-chloranylpent-1-ynyl)-6,9a,11a-trimethyl-1-oxidanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

View entire compound with spectra: 1 MS (GC)

(1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(5-chloranylpent-1-ynyl)-6,9a,11a-trimethyl-1-oxidanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SpectraBase Compound ID IQekyAx82rh
InChI InChI=1S/C24H36ClNO2/c1-22-13-11-21(27)26(3)20(22)8-7-17-18(22)9-14-23(2)19(17)10-15-24(23,28)12-5-4-6-16-25/h17-20,28H,4,6-11,13-16H2,1-3H3/t17-,18+,19+,20-,22-,23+,24+/m1/s1
InChIKey ZKYICTSKRHTRLQ-QHHRZPEUSA-N
Mol Weight 406.0 g/mol
Molecular Formula C24H36ClNO2
Exact Mass 405.243457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ez8vaPW34TR
Name (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(5-chloranylpent-1-ynyl)-6,9a,11a-trimethyl-1-oxidanyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36ClNO2
InChI InChI=1S/C24H36ClNO2/c1-22-13-11-21(27)26(3)20(22)8-7-17-18(22)9-14-23(2)19(17)10-15-24(23,28)12-5-4-6-16-25/h17-20,28H,4,6-11,13-16H2,1-3H3/t17-,18+,19+,20-,22-,23+,24+/m1/s1
InChIKey ZKYICTSKRHTRLQ-QHHRZPEUSA-N
Molecular Weight 406.010 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@@]4([C@](N(C)C(CC4)=O)(CC[C@]3([C@@]2(CC1)[H])[H])[H])C)[H])C)C#CCCCCl
SPLASH splash10-075a-9463000000-c161e2abb1d31ce58672
Source of Spectrum SK-24-739-0
Synonyms (1S,3aS,3bR,5aR,9aR,9bS,11aS)-1-(5-chloropent-1-ynyl)-1-hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Wiley ID 866187