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rel-(4aS,9S,10aS)-1,3,4,9,10,10a-Hexahydro-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthrene-5,6-dione
SpectraBase Compound ID EIjvAD8uHtM
InChI InChI=1S/C21H30O3/c1-6-21-9-7-8-20(4,5)16(21)11-15(22)14-10-13(12(2)3)18(23)19(24)17(14)21/h10,12,15-16,22H,6-9,11H2,1-5H3/t15-,16-,21-/m0/s1
InChIKey FDFCRFCJDXMDQS-QYWGDWMGSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TxFOvklyLe
Name rel-(4aS,9S,10aS)-1,3,4,9,10,10a-Hexahydro-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthrene-5,6-dione
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-6-21-9-7-8-20(4,5)16(21)11-15(22)14-10-13(12(2)3)18(23)19(24)17(14)21/h10,12,15-16,22H,6-9,11H2,1-5H3/t15-,16-,21-/m0/s1
InChIKey FDFCRFCJDXMDQS-QYWGDWMGSA-N
Molecular Weight 330.468 g/mol
SMILES O[C@]1(C[C@]2(C(CCC[C@@]2(C=2C(C(C(C(C)C)=CC12)=O)=O)CC)(C)C)[H])[H]
SPLASH splash10-000l-0090000000-71c5df888792344d0917
Source of Spectrum H-92-413-3
Synonyms Przewalskin G (4bS,8aS,10S)-4b-ethyl-10-hydroxy-2-isopropyl-8,8-dimethyl-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3,4-dione
Wiley ID 1785766