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SELAGINELLIC_ACID;3A-[(2-E)-3-CARBOXYBUT-2-ENYL]-N-(1),N-(8),N-(8)-TRIMETHYL-1,2,3,3A,8,8A-HEXAHYDROPYRROLO-[2.3-B]-INDOLE

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SELAGINELLIC_ACID;3A-[(2-E)-3-CARBOXYBUT-2-ENYL]-N-(1),N-(8),N-(8)-TRIMETHYL-1,2,3,3A,8,8A-HEXAHYDROPYRROLO-[2.3-B]-INDOLE
SpectraBase Compound ID 1yfFsFffXsc
InChI InChI=1S/C18H24N2O2/c1-13(16(21)22)9-10-18-11-12-19(2)17(18)20(3,4)15-8-6-5-7-14(15)18/h5-9,17H,10-12H2,1-4H3/b13-9+/t17-,18+/m1/s1
InChIKey DVBZNARPPNBKQX-IDPXHPCFSA-N
Mol Weight 300.4 g/mol
Molecular Formula C18H24N2O2
Exact Mass 300.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzJP5x2GP4b
Name SELAGINELLIC_ACID;3A-[(2-E)-3-CARBOXYBUT-2-ENYL]-N-(1),N-(8),N-(8)-TRIMETHYL-1,2,3,3A,8,8A-HEXAHYDROPYRROLO-[2.3-B]-INDOLE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O2
InChI InChI=1S/C18H24N2O2/c1-13(16(21)22)9-10-18-11-12-19(2)17(18)20(3,4)15-8-6-5-7-14(15)18/h5-9,17H,10-12H2,1-4H3/b13-9+/t17-,18+/m1/s1
InChIKey DVBZNARPPNBKQX-IDPXHPCFSA-N
Literature Reference Author Y.H.WANG,C.L.LONG,F.M.YANG,X.WANG,Q.Y.SUN,H.S.WANG,Y.N.SHI,G .H.TANG
Literature Reference Citation J.NAT.PROD.,72,1151(2009)
Literature Reference DOI 10.1021/np9001515
Molecular Weight 300.401 g/mol
Sample ID 33065
Solvent CD3OD