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acetic acid [(2S,4aS,10aS)-6-acetoxy-7-isopropyl-4-keto-1,1,4a-trimethyl-3,9,10,10a-tetrahydro-2H-phenanthren-2-yl] ester

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acetic acid [(2S,4aS,10aS)-6-acetoxy-7-isopropyl-4-keto-1,1,4a-trimethyl-3,9,10,10a-tetrahydro-2H-phenanthren-2-yl] ester
SpectraBase Compound ID 1FRa3JyjsHM
InChI InChI=1S/C24H32O5/c1-13(2)17-10-16-8-9-20-23(5,6)22(29-15(4)26)12-21(27)24(20,7)18(16)11-19(17)28-14(3)25/h10-11,13,20,22H,8-9,12H2,1-7H3/t20-,22-,24+/m0/s1
InChIKey ZVKKMIONTLAWKM-ODGPQVTHSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GohGTeuoWDH
Name acetic acid [(2S,4aS,10aS)-6-acetoxy-7-isopropyl-4-keto-1,1,4a-trimethyl-3,9,10,10a-tetrahydro-2H-phenanthren-2-yl] ester
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-13(2)17-10-16-8-9-20-23(5,6)22(29-15(4)26)12-21(27)24(20,7)18(16)11-19(17)28-14(3)25/h10-11,13,20,22H,8-9,12H2,1-7H3/t20-,22-,24+/m0/s1
InChIKey ZVKKMIONTLAWKM-ODGPQVTHSA-N
Literature Reference Author J.S.MOSSA,I.MUHAMMAD,F.S.EL-FERALY,C.D.HUFFORD
Literature Reference Citation PHYTOCHEM.,31,2789(1992)
Literature Reference DOI 10.1016/0031-9422(92)83631-8
Molecular Weight 400.515 g/mol
Solvent CDCl3
Source File Reference UWMZ23222