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(4aR)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
SpectraBase Compound ID HaAK06vhHF0
InChI InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15?,21-/m1/s1
InChIKey QQNSARJGBPMQDI-MZVUKIKXSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F70bnijfoH4
Name (4aR)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Compound Number 91
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15?,21-/m1/s1
InChIKey QQNSARJGBPMQDI-MZVUKIKXSA-N
Literature Reference Author J.M.M.DELCORRAL,M.GORDALIZA,M.A.SALINERO,A.SANFELICIANO
Literature Reference Citation MAGN.RES.CHEM.,32,774(1994)
Literature Reference DOI 10.1002/mrc.1260321211
Molecular Weight 346.467 g/mol
Solvent CDCl3
Source File Reference UWGE352