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9-Hydroxyabieta-7,13-dien-3-one
SpectraBase Compound ID CKbXs0I3Bmu
InChI InChI=1S/C20H30O2/c1-13(2)14-8-11-20(22)15(12-14)6-7-16-18(3,4)17(21)9-10-19(16,20)5/h6,12-13,16,22H,7-11H2,1-5H3/t16?,19-,20+/m0/s1
InChIKey IEJVPCYZPBDRIK-KHMGXFTDSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GewsnHOenen
Name 9-Hydroxyabieta-7,13-dien-3-one
Alternate Name(s) (4aS,4bS)-4b-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,5,6,10,10a-hexahydrophenanthren-2-one (4aS,4bS)-1,1,4a-trimethyl-4b-oxidanyl-7-propan-2-yl-3,4,5,6,10,10a-hexahydrophenanthren-2-one
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Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)14-8-11-20(22)15(12-14)6-7-16-18(3,4)17(21)9-10-19(16,20)5/h6,12-13,16,22H,7-11H2,1-5H3/t16?,19-,20+/m0/s1
InChIKey IEJVPCYZPBDRIK-KHMGXFTDSA-N
Molecular Weight 302.458 g/mol
SMILES O[C@@]12[C@@]3(C(C(C)(C)C(CC3)=O)CC=C1C=C(CC2)C(C)C)C
SPLASH splash10-0002-0960000000-4ed94486820053e24242
Source of Spectrum OP-25-220-5
Wiley ID 850524