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(3S,4S,8R,9S)-11-Phenyl-10,11-didehydro-6'-methoxycinchonan-9-ol
SpectraBase Compound ID 2GzURNQSe3k
InChI InChI=1S/C26H26N2O2/c1-30-21-9-10-24-23(16-21)22(11-13-27-24)26(29)25-15-19-12-14-28(25)17-20(19)8-7-18-5-3-2-4-6-18/h2-6,9-11,13,16,19-20,25-26,29H,12,14-15,17H2,1H3/t19-,20?,25+,26?/m1/s1
InChIKey JKPQMENTMDCDPK-GPZXRXJUSA-N
Mol Weight 398.51 g/mol
Molecular Formula C26H26N2O2
Exact Mass 398.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5R2YrtKo83V
Name (3S,4S,8R,9S)-11-Phenyl-10,11-didehydro-6'-methoxycinchonan-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O2
InChI InChI=1S/C26H26N2O2/c1-30-21-9-10-24-23(16-21)22(11-13-27-24)26(29)25-15-19-12-14-28(25)17-20(19)8-7-18-5-3-2-4-6-18/h2-6,9-11,13,16,19-20,25-26,29H,12,14-15,17H2,1H3/t19-,20?,25+,26?/m1/s1
InChIKey JKPQMENTMDCDPK-GPZXRXJUSA-N
Molecular Weight 398.506 g/mol
SMILES OC(c1c2c(ccc(c2)OC)ncc1)[C@]1(N2CC(C#Cc3ccccc3)[C@](CC2)(C1)[H])[H]
SPLASH splash10-03g0-0971000000-8ffa2bfd438da0139688
Source of Spectrum K-2001-54-21
Synonyms (9S)-6'-methoxy-11-phenyl-10,11-didehydrocinchonan-9-ol
Wiley ID 1578356