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(S)-9-Acetoxy-11-(2-thienyl)-10,11-didehydro-6'-methoxycinchonan

View entire compound with spectra: 1 MS (GC)

(S)-9-Acetoxy-11-(2-thienyl)-10,11-didehydro-6'-methoxycinchonan
SpectraBase Compound ID 8G0c21EWaDL
InChI InChI=1S/C26H26N2O3S/c1-17(29)31-26(22-9-11-27-24-8-6-20(30-2)15-23(22)24)25-14-18-10-12-28(25)16-19(18)5-7-21-4-3-13-32-21/h3-4,6,8-9,11,13,15,18-19,25-26H,10,12,14,16H2,1-2H3/t18-,19?,25?,26+/m1/s1
InChIKey ODDADCZTSALXLP-PNLIGSQZSA-N
Mol Weight 446.57 g/mol
Molecular Formula C26H26N2O3S
Exact Mass 446.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZvO0IJWBmK
Name (S)-9-Acetoxy-11-(2-thienyl)-10,11-didehydro-6'-methoxycinchonan
Alternate Name(s) (3S,4S,8R,9S)-9-Acetoxy-11-(2-thienyl)-10,11-didehydro-6'-methoxycinchonan (9S)-6'-methoxy-11-(2-thienyl)-10,11-didehydrocinchonan-9-yl acetate
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Formula C26H26N2O3S
InChI InChI=1S/C26H26N2O3S/c1-17(29)31-26(22-9-11-27-24-8-6-20(30-2)15-23(22)24)25-14-18-10-12-28(25)16-19(18)5-7-21-4-3-13-32-21/h3-4,6,8-9,11,13,15,18-19,25-26H,10,12,14,16H2,1-2H3/t18-,19?,25?,26+/m1/s1
InChIKey ODDADCZTSALXLP-PNLIGSQZSA-N
Molecular Weight 446.565 g/mol
SMILES C1(N2CC[C@](C1)(C(C#Cc1sccc1)C2)[H])[C@](c1c2c(ccc(c2)OC)ncc1)(OC(=O)C)[H]
SPLASH splash10-00kr-9711000000-fb270f407338a890a502
Source of Spectrum K-2001-56-21
Wiley ID 1578347