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#2;STEMONATUBERONE-B;(REL)-(3R*,3AR*,6S*,12R*,13R*,13R*)-13-ETHYL-3-METHYL-6-[(2S*,4S*)-4-METHYL-5-OXO-TETRAHYDROFURAN-2-YL]-DECAHYDRO-2H-7,12-METHANOFURO-[3,2
SpectraBase Compound ID JrxOYiE2c8e
InChI InChI=1S/C22H31NO6/c1-4-13-14-7-5-6-8-23(20(14)25)15(17-9-11(2)21(26)28-17)10-16(24)18-12(3)22(27)29-19(13)18/h11-15,17-19H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,17-,18-,19+/m0/s1
InChIKey CHQGOWAOLJKTQX-UOVPMPRRSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkQQuvQw05o
Name #2;STEMONATUBERONE-B;(REL)-(3R*,3AR*,6S*,12R*,13R*,13R*)-13-ETHYL-3-METHYL-6-[(2S*,4S*)-4-METHYL-5-OXO-TETRAHYDROFURAN-2-YL]-DECAHYDRO-2H-7,12-METHANOFURO-[3,2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-4-13-14-7-5-6-8-23(20(14)25)15(17-9-11(2)21(26)28-17)10-16(24)18-12(3)22(27)29-19(13)18/h11-15,17-19H,4-10H2,1-3H3/t11-,12+,13+,14+,15-,17-,18-,19+/m0/s1
InChIKey CHQGOWAOLJKTQX-UOVPMPRRSA-N
Literature Reference Author Y.YUE,A.J.DENG,Z.H.LI,A.L.LIU,L.MA,Z.H.ZHANG,X.L.WANG,G.H.DU ,H.L.QIN
Literature Reference Citation MAGN.RES.CHEM.,52,719(2014)
Literature Reference DOI 10.1002/mrc.4099
Molecular Weight 405.491 g/mol
Solvent DMSO-D6
Source File Reference UWBT15803