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8.alpha.-Hydroxy-13-epi-pimar-16-en-18-yl acetate
SpectraBase Compound ID 2pPeEUe5EJV
InChI InChI=1S/C22H36O3/c1-6-19(3)12-8-18-21(5)11-7-10-20(4,15-25-16(2)23)17(21)9-13-22(18,24)14-19/h6,17-18,24H,1,7-15H2,2-5H3/t17?,18-,19+,20+,21+,22+/m1/s1
InChIKey MRDSLKDJHBMGDV-ROASGFDQSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHgp0b8KzFq
Name 8.alpha.-Hydroxy-13-epi-pimar-16-en-18-yl acetate
Appearance Colorless syrup
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Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-6-19(3)12-8-18-21(5)11-7-10-20(4,15-25-16(2)23)17(21)9-13-22(18,24)14-19/h6,17-18,24H,1,7-15H2,2-5H3/t17?,18-,19+,20+,21+,22+/m1/s1
InChIKey MRDSLKDJHBMGDV-ROASGFDQSA-N
Instrument Name Hewlett-Packard 5972A
Ionization Type EI
Literature Reference DOI 10.1021/np0204949
Molecular Weight 348.527 g/mol
Optical Rotation [a]D = +10.0 (c = 0.6, CHCl3)
Reported Formula C22H36O3
SMILES O[C@]12CCC3[C@](CCC[C@@]3(C)COC(C)=O)([C@]1(CC[C@@](C2)(C=C)C)[H])C
SPLASH splash10-0a4i-9520000000-4836053501f61212139e
Source of Spectrum G4-66-849-5
Wiley ID 1881414