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#12;[3S-(3A-ALPHA,5AS,7A-ALPHA,11A-BETA,11B-ALPHA)]-(-)-METHYL-1,3,3A,6,7,7A,8,9,10,11,11A,11B-DODECAHYDRO-6-ALPHA-HYDROXY-8,8,11A-TRIMETHYL-2H-CYClOBUTA-[J]-P
SpectraBase Compound ID 5QKY8kjdHey
InChI InChI=1S/C21H32O3/c1-19(2)9-5-10-20(3)15-7-6-13(18(23)24-4)14-8-11-21(14,15)17(22)12-16(19)20/h8,11,13-17,22H,5-7,9-10,12H2,1-4H3/t13-,14+,15?,16?,17+,20+,21-/m0/s1
InChIKey UYEFCTJCUMDLEA-BCSSHZIGSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fnt18SoBmd
Name #12;[3S-(3A-ALPHA,5AS,7A-ALPHA,11A-BETA,11B-ALPHA)]-(-)-METHYL-1,3,3A,6,7,7A,8,9,10,11,11A,11B-DODECAHYDRO-6-ALPHA-HYDROXY-8,8,11A-TRIMETHYL-2H-CYClOBUTA-[J]-P
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-19(2)9-5-10-20(3)15-7-6-13(18(23)24-4)14-8-11-21(14,15)17(22)12-16(19)20/h8,11,13-17,22H,5-7,9-10,12H2,1-4H3/t13-,14+,15?,16?,17+,20+,21-/m0/s1
InChIKey UYEFCTJCUMDLEA-BCSSHZIGSA-N
Literature Reference Author A.ABAD,M.ARNO,M.L.MARIN,R.J.ZARAGOZA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1861(1993)
Literature Reference DOI 10.1039/p19930001861
Molecular Weight 332.483 g/mol
Solvent CDCl3
Source File Reference UWCP7329