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2-ALPHA-ACETOXY-SUGIOL;(3S,4AS,10AS)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-6-HYDROXY-7-ISOPROPYL-1,1,4A-TRIMETHYL-9-OXOPHENANTHREN-3-YL-ACETATE

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2-ALPHA-ACETOXY-SUGIOL;(3S,4AS,10AS)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-6-HYDROXY-7-ISOPROPYL-1,1,4A-TRIMETHYL-9-OXOPHENANTHREN-3-YL-ACETATE
SpectraBase Compound ID 3Wh9Lf1DrIz
InChI InChI=1S/C22H30O4/c1-12(2)15-7-16-17(8-18(15)24)22(6)11-14(26-13(3)23)10-21(4,5)20(22)9-19(16)25/h7-8,12,14,20,24H,9-11H2,1-6H3/t14-,20-,22+/m0/s1
InChIKey LVRUFBJYFAGDRK-PRPYNDMISA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CY1hNdwTTaz
Name 2-ALPHA-ACETOXY-SUGIOL;(3S,4AS,10AS)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-6-HYDROXY-7-ISOPROPYL-1,1,4A-TRIMETHYL-9-OXOPHENANTHREN-3-YL-ACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-12(2)15-7-16-17(8-18(15)24)22(6)11-14(26-13(3)23)10-21(4,5)20(22)9-19(16)25/h7-8,12,14,20,24H,9-11H2,1-6H3/t14-,20-,22+/m0/s1
InChIKey LVRUFBJYFAGDRK-PRPYNDMISA-N
Literature Reference Author M.J.DON,C.C.SHEN,W.SYU,Y.H.DING,C.M.SUN
Literature Reference Citation PHYTOCHEM.,67,497(2006)
Literature Reference DOI 10.1016/j.phytochem.2005.11.005
Molecular Weight 358.478 g/mol
Sample ID 66092
Solvent CDCl3