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4a,10a-(trans)-methyl 1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-carboxylate
SpectraBase Compound ID K5qkcbQGBxB
InChI InChI=1S/C19H26O2/c1-18(2)10-7-11-19(3)15-9-6-5-8-13(15)14(12-16(18)19)17(20)21-4/h5-6,8-9,14,16H,7,10-12H2,1-4H3/t14?,16-,19+/m1/s1
InChIKey INLYXUCFHWMUJM-NBMIWUGMSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XYMgoDSu8
Name 4a,10a-(trans)-methyl 1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-carboxylate
Alternate Name(s) (4aR,10aR)-methyl 1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-9-carboxylate
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Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-18(2)10-7-11-19(3)15-9-6-5-8-13(15)14(12-16(18)19)17(20)21-4/h5-6,8-9,14,16H,7,10-12H2,1-4H3/t14?,16-,19+/m1/s1
InChIKey INLYXUCFHWMUJM-NBMIWUGMSA-N
Literature Reference DOI 10.1021/ol201028f
Molecular Weight 286.415 g/mol
SMILES C1(C(OC)=O)c2ccccc2[C@]2([C@](C1)(C(C)(CCC2)C)[H])C
SPLASH splash10-03xu-1790000000-762170b73978c7bc5df4
Source of Spectrum A1-13-3320/SMS27-7b_major
Wiley ID 1753263