John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4dzIHsJotQs SpectraBase Spectrum ID=4tTZch9lyzG

(accessed ).
#6;ISOPETASOL;(4AR,5R,6R)-4,4A,5,6,7,8-HEXAHYDRO-6-HYDROXY-4A,5-DIMETHYL-3-(1-METHYLETHYLIDENE)-2(3H)-NAPHTHALENONE;3-ALPHA-HYDROXY-EREMOPHILA-7(11),9-DIEN-8-O
SpectraBase Compound ID 4dzIHsJotQs
InChI InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
InChIKey TVDMUSYVWJLIDK-PSOPSSQASA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tTZch9lyzG
Name #6;ISOPETASOL;(4AR,5R,6R)-4,4A,5,6,7,8-HEXAHYDRO-6-HYDROXY-4A,5-DIMETHYL-3-(1-METHYLETHYLIDENE)-2(3H)-NAPHTHALENONE;3-ALPHA-HYDROXY-EREMOPHILA-7(11),9-DIEN-8-O
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
InChIKey TVDMUSYVWJLIDK-PSOPSSQASA-N
Literature Reference Author C.WANG,J.LI,R.YANG,Y.ZHAO,Y.CHENG,Z.ZHANG,L.HE
Literature Reference Citation REC.NAT.PROD.,8,156(2014)
Molecular Weight 234.338 g/mol
Solvent CDCl3
Source File Reference UWIR15830
SpectraBase Batch ID 9ao2f9ErlhC