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(9S)-10,11-Didehydro-6'-methoxycinchonan-9-ol

View entire compound with spectra: 1 MS (GC)

(9S)-10,11-Didehydro-6'-methoxycinchonan-9-ol
SpectraBase Compound ID 3ZGx5YNT81W
InChI InChI=1S/C20H21IN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-3,5,8,11,13-14,19-20,24H,6,9-10,12H2,1H3/t13-,14-,19+,20+/m1/s1
InChIKey QMIQFTINTQOMEU-NSMLZSOPSA-N
Mol Weight 448.3 g/mol
Molecular Formula C20H21IN2O2
Exact Mass 448.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqJgpnAhYbD
Name (9S)-10,11-Didehydro-6'-methoxycinchonan-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21IN2O2
InChI InChI=1S/C20H21IN2O2/c1-25-15-2-3-18-17(11-15)16(5-8-22-18)20(24)19-10-13-6-9-23(19)12-14(13)4-7-21/h2-3,5,8,11,13-14,19-20,24H,6,9-10,12H2,1H3/t13-,14-,19+,20+/m1/s1
InChIKey QMIQFTINTQOMEU-NSMLZSOPSA-N
Molecular Weight 448.304 g/mol
SMILES O[C@@](c1c2c(ccc(c2)OC)ncc1)([C@]1(N2C[C@](C#CI)([H])[C@](CC2)(C1)[H])[H])[H]
SPLASH splash10-00c9-5932000000-9fafa97d3f6381613acb
Source of Spectrum H-83-787-5
Synonyms (9S)-10,11-Didehydro-11-iodo-6'-methoxycinchonan-9-ol (9S)-11-iodo-6'-methoxy-10,11-didehydrocinchonan-9-ol
Wiley ID 847064