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EMERICELLENE_A;(+)-12-BETA,17-EPOXYEMERICELLA-3-E,7-E,22-TRIEN-16-AL
SpectraBase Compound ID IeuSttwyfgb
InChI InChI=1S/C25H38O2/c1-19(2)7-6-15-24(17-26)22-12-10-20(3)8-5-9-21(4)11-13-23(24)25(16-14-22)18-27-25/h7,9-10,17,22-23H,5-6,8,11-16,18H2,1-4H3/b20-10+,21-9+/t22-,23+,24+,25+/m1/s1
InChIKey CFTIGVMTUOJNLU-WAZAAELDSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sW0vOrvYD8
Name EMERICELLENE_A;(+)-12-BETA,17-EPOXYEMERICELLA-3-E,7-E,22-TRIEN-16-AL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-19(2)7-6-15-24(17-26)22-12-10-20(3)8-5-9-21(4)11-13-23(24)25(16-14-22)18-27-25/h7,9-10,17,22-23H,5-6,8,11-16,18H2,1-4H3/b20-10+,21-9+/t22-,23+,24+,25+/m1/s1
InChIKey CFTIGVMTUOJNLU-WAZAAELDSA-N
Literature Reference Author Y.M.XU,P.ESPINOSA-ARTILES,M.X.LIU,A.E.ARNOLD,A.A.L.GUNATILAK A
Literature Reference Citation J.NAT.PROD.,76,2330(2013)
Literature Reference DOI 10.1021/np400762k
Molecular Weight 370.576 g/mol
Solvent CDCl3
Source File Reference UWMZ43615