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ASPEROPTEROCARPIN;3-(3',3'-DIMETHYLALLYLOXY)-9-HYDROXY-1-METHOXY-[6A-R,11A-R]-PTEROCARPAN
SpectraBase Compound ID HKr2IkUEdSF
InChI InChI=1S/C21H22O5/c1-12(2)6-7-24-14-9-18(23-3)20-19(10-14)25-11-16-15-5-4-13(22)8-17(15)26-21(16)20/h4-6,8-10,16,21-22H,7,11H2,1-3H3/t16-,21+/m0/s1
InChIKey BFYZUNBXRVPQIE-HRAATJIYSA-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 G7r5GwAKtTh
Name ASPEROPTEROCARPIN;3-(3',3'-DIMETHYLALLYLOXY)-9-HYDROXY-1-METHOXY-[6A-R,11A-R]-PTEROCARPAN
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(2)6-7-24-14-9-18(23-3)20-19(10-14)25-11-16-15-5-4-13(22)8-17(15)26-21(16)20/h4-6,8-10,16,21-22H,7,11H2,1-3H3/t16-,21+/m0/s1
InChIKey BFYZUNBXRVPQIE-HRAATJIYSA-N
Literature Reference Author I.KITAGAWA,W.Z.CHEN,K.HORI,M.KOBAYASHI,J.REN
Literature Reference Citation CHEM.PHARM.BULL.,46,1511(1998)
Literature Reference DOI 10.1248/cpb.46.1511
Molecular Weight 354.403 g/mol
Solvent CDCl3
Source File Reference UWMS20595