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1-O-METHYLOHIOENSINE-B;(7B-BETA,12B-BETA,14C-ALPHA)-7B,12B,13,14C-TETRAHYDRO-1,3-DIMETHOXY-4-HYDROXY-14-BENZO-[C]-NAPHTHO-[2,1,8-MNA]-XANTHEN-14-ONE
SpectraBase Compound ID 7Bq1bWzhRxQ
InChI InChI=1S/C25H20O5/c1-28-18-11-19(29-2)23-20-13(7-5-8-15(20)26)25-21-14(10-16(27)22(18)24(21)23)12-6-3-4-9-17(12)30-25/h3-9,11,14,21,25-26H,10H2,1-2H3/t14-,21+,25+/m1/s1
InChIKey RAHLNYQUSMLHPY-XILATRJDSA-N
Mol Weight 400.43 g/mol
Molecular Formula C25H20O5
Exact Mass 400.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaUE0651hJ6
Name 1-O-METHYLOHIOENSINE-B;(7B-BETA,12B-BETA,14C-ALPHA)-7B,12B,13,14C-TETRAHYDRO-1,3-DIMETHOXY-4-HYDROXY-14-BENZO-[C]-NAPHTHO-[2,1,8-MNA]-XANTHEN-14-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H20O5
InChI InChI=1S/C25H20O5/c1-28-18-11-19(29-2)23-20-13(7-5-8-15(20)26)25-21-14(10-16(27)22(18)24(21)23)12-6-3-4-9-17(12)30-25/h3-9,11,14,21,25-26H,10H2,1-2H3/t14-,21+,25+/m1/s1
InChIKey RAHLNYQUSMLHPY-XILATRJDSA-N
Literature Reference Author G.Q.ZHENG,D.K.HO,P.J.ELDER,R.E.STEPHENS,C.E.COTTRELL,J.M.CAS SADY
Literature Reference Citation J.NAT.PROD.,57,32(1994)
Literature Reference DOI 10.1021/np50103a005
Molecular Weight 400.431 g/mol
Solvent CDCl3
Source File Reference UWCS17798