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3,7-Secocuran-16-carboxylic acid, 2,7,19,20-tetradehydro-17-hydroxy-, methyl ester, (19E)-
SpectraBase Compound ID J4ZBxGIllfv
InChI InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-15(14)19(21(25)26-13-24)20-17(9-11-23)16-6-4-5-7-18(16)22(20)2/h3-7,15,19,24H,8-13H2,1-2H3/b14-3+
InChIKey FGSIDBXUJJPJAJ-LZWSPWQCSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eqp59uLsujS
Name 3,7-Secocuran-16-carboxylic acid, 2,7,19,20-tetradehydro-17-hydroxy-, methyl ester, (19E)-
Alternate Name(s) (+)-Stemmadenine Stemmadenin
CAS Registry Number 10012-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-3-14-12-23-10-8-15(14)19(21(25)26-13-24)20-17(9-11-23)16-6-4-5-7-18(16)22(20)2/h3-7,15,19,24H,8-13H2,1-2H3/b14-3+
InChIKey FGSIDBXUJJPJAJ-LZWSPWQCSA-N
Molecular Weight 354.450 g/mol
SMILES OCOC(C1c2[n](c3ccccc3c2CCN2CCC1\C(C2)=C\C)C)=O
SPLASH splash10-00di-3922000000-df4a1b308fc937aa97ce
Source of Spectrum SD-1981-0-0
Wiley ID 1344713