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STEMOCOCHININ;3-METHYL-5-[(2Z,3AR)-1T-METHYL-8T-[(2S)-4C-METHYL-5-OXO-TETRAHYDROFURAN-2R-YL]-(3AR,10AT,10BT)-DECAHYDRO-2H-FURO-[3,2-C]-PYRROLO-[1,2
SpectraBase Compound ID 5IU6yPSM3T8
InChI InChI=1S/C22H31NO5/c1-11-9-17(27-21(11)24)14-6-7-15-19-13(3)20(18-10-12(2)22(25)28-18)26-16(19)5-4-8-23(14)15/h10-11,13-20H,4-9H2,1-3H3/t11-,13-,14-,15-,16+,17-,18?,19+,20?/m0/s1
InChIKey QAAYWVNRGVTWRB-WNYGCNNLSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ga4tj9oNyK
Name STEMOCOCHININ;3-METHYL-5-[(2Z,3AR)-1T-METHYL-8T-[(2S)-4C-METHYL-5-OXO-TETRAHYDROFURAN-2R-YL]-(3AR,10AT,10BT)-DECAHYDRO-2H-FURO-[3,2-C]-PYRROLO-[1,2
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-11-9-17(27-21(11)24)14-6-7-15-19-13(3)20(18-10-12(2)22(25)28-18)26-16(19)5-4-8-23(14)15/h10-11,13-20H,4-9H2,1-3H3/t11-,13-,14-,15-,16+,17-,18?,19+,20?/m0/s1
InChIKey QAAYWVNRGVTWRB-WNYGCNNLSA-N
Literature Reference Author E.KALTENEGGER,B.BREM,K.MEREITER,H.KALCHHAUSER,H.KAEHLIG,O.HO FER,S.VAJRODAYA,H.GR
Literature Reference Citation PHYTOCHEM.,63,803(2003)
Literature Reference DOI 10.1016/S0031-9422(03)00332-7
Molecular Weight 389.492 g/mol
Solvent CDCl3
Source File Reference UWVN27114