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(1S,4aR,4bS,8R,8aS,10aR)-1,4a-dimethyl-7-methylene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 89xmutzUmS2
InChI InChI=1S/C21H32O3/c1-14-6-8-17-16(15(14)10-13-22)7-9-18-20(17,2)11-5-12-21(18,3)19(23)24-4/h13,15-18H,1,5-12H2,2-4H3/t15-,16-,17-,18+,20+,21-/m0/s1
InChIKey JFJLQXKXXUUAPP-XUJUZBCESA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 890mIr3kiL5
Name (1S,4aR,4bS,8R,8aS,10aR)-1,4a-dimethyl-7-methylene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-14-6-8-17-16(15(14)10-13-22)7-9-18-20(17,2)11-5-12-21(18,3)19(23)24-4/h13,15-18H,1,5-12H2,2-4H3/t15-,16-,17-,18+,20+,21-/m0/s1
InChIKey JFJLQXKXXUUAPP-XUJUZBCESA-N
Molecular Weight 332.484 g/mol
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CC[C@@]2([C@@]1(CCC(=C)[C@@]2(CC=O)[H])[H])[H])[H])C
SPLASH splash10-00di-0920000000-fe7066188c897d6c5492
Source of Spectrum F-47-3842-15
Synonyms (1S,4aR,4bS,8R,8aS,10aR)-8-(2-ketoethyl)-1,4a-dimethyl-7-methylene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1S,4aR,4bS,8R,8aS,10aR)-1,4a-dimethyl-7-methylene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aR,4bS,8R,8aS,10aR)-1,4a-dimethyl-7-methylidene-8-(2-oxidanylideneethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate Methyl (1S,4aR,4bS,8R,8aS,10aR)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Wiley ID 1329818