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REL-(8R,9R)-CARRIZALOIC-ACID;3-[REL-(8R,9R-9-HYDROXY-9,13,13-TRIMETHYL-12-OXO-10-CYCLOHEXENYL)-METHYL]-4-METHOXYBENZOIC-ACID

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REL-(8R,9R)-CARRIZALOIC-ACID;3-[REL-(8R,9R-9-HYDROXY-9,13,13-TRIMETHYL-12-OXO-10-CYCLOHEXENYL)-METHYL]-4-METHOXYBENZOIC-ACID
SpectraBase Compound ID 52V4txe2gMn
InChI InChI=1S/C18H22O5/c1-17(2)14(18(3,22)8-7-15(17)19)10-12-9-11(16(20)21)5-6-13(12)23-4/h5-9,14,22H,10H2,1-4H3,(H,20,21)/t14?,18-/m1/s1
InChIKey VWTHQOHALJUZPE-XPKAQORNSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H63npJ6KyPs
Name REL-(8R,9R)-CARRIZALOIC-ACID;3-[REL-(8R,9R-9-HYDROXY-9,13,13-TRIMETHYL-12-OXO-10-CYCLOHEXENYL)-METHYL]-4-METHOXYBENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-17(2)14(18(3,22)8-7-15(17)19)10-12-9-11(16(20)21)5-6-13(12)23-4/h5-9,14,22H,10H2,1-4H3,(H,20,21)/t14?,18-/m1/s1
InChIKey VWTHQOHALJUZPE-XPKAQORNSA-N
Literature Reference Author L.VILLARROEL,R.TORRES,A.URZUA,M.REINA,R.CABRERA,A.GONZALEZ-C OLOMA
Literature Reference Citation J.NAT.PROD.,64,1123(2001)
Literature Reference DOI 10.1021/np000608l
Molecular Weight 318.370 g/mol
Solvent CDCl3
Source File Reference UWSI1852