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NOTOPTOL;5-(7-HYDROXY-3,7-DIMETHYLOCTA-2,5-DIENYLOXY)-PSORALEN
SpectraBase Compound ID 2anx6S2J5Sp
InChI InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-15-6-7-19(22)26-18(15)13-17-16(20)9-12-24-17/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey WIEGIEBFVOUTDV-OVXNXNIRSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jYIYqRbRmU
Name NOTOPTOL;5-(7-HYDROXY-3,7-DIMETHYLOCTA-2,5-DIENYLOXY)-PSORALEN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-15-6-7-19(22)26-18(15)13-17-16(20)9-12-24-17/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
InChIKey WIEGIEBFVOUTDV-OVXNXNIRSA-N
Literature Reference Author P.C.STEVENSON,M.S.J.SIMMONDS,M.A.YULE,N.C.VEITCH,G.C.KITE,D. IRWIN,M.LEGG
Literature Reference Citation PHYTOCHEM.,63,41(2003)
Literature Reference DOI 10.1016/S0031-9422(02)00748-3
Molecular Weight 354.403 g/mol
Solvent CD3OD
Source File Reference UWLU29683