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(4aR,5R,6S,7S,8R,8aR)-7,8-dihydroxy-5-[2-(5-keto-2H-furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR

(4aR,5R,6S,7S,8R,8aR)-7,8-dihydroxy-5-[2-(5-keto-2H-furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester
SpectraBase Compound ID 1RrDa6pKtWD
InChI InChI=1S/C21H30O6/c1-12-17(23)18(24)21(3)14(19(25)26-4)6-5-7-15(21)20(12,2)9-8-13-10-16(22)27-11-13/h6,10,12,15,17-18,23-24H,5,7-9,11H2,1-4H3/t12-,15-,17+,18+,20+,21+/m1/s1
InChIKey WHHJYCIHDIOTJN-QTMFJGDTSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FccFzPixAA
Name (4aR,5R,6S,7S,8R,8aR)-7,8-dihydroxy-5-[2-(5-keto-2H-furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid methyl ester
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-12-17(23)18(24)21(3)14(19(25)26-4)6-5-7-15(21)20(12,2)9-8-13-10-16(22)27-11-13/h6,10,12,15,17-18,23-24H,5,7-9,11H2,1-4H3/t12-,15-,17+,18+,20+,21+/m1/s1
InChIKey WHHJYCIHDIOTJN-QTMFJGDTSA-N
Literature Reference Author B.DAS,M.R.REDDY,R.RAMU,N.RAVINDRANATH,H.HARISH,K.V.S.RAMAKRI SHNA,Y.K.RAO,K.HARAK
Literature Reference Citation PHYTOCHEM.,66,633(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.02.004
Molecular Weight 378.466 g/mol
Solvent Unknown
Source File Reference UWSI25391