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(4a.beta.,10.alpha.,10a.beta.)-(+-)-1,2,3,4,4a,9,10,10a-octahydro-10,10a-dihydroxy-10-(1-heptynyl)-3-methylphenanthrene
SpectraBase Compound ID 1Yt2UE1N5Gg
InChI InChI=1S/C22H30O2/c1-3-4-5-6-9-13-21(23)16-18-10-7-8-11-19(18)20-15-17(2)12-14-22(20,21)24/h7-8,10-11,17,20,23-24H,3-6,12,14-16H2,1-2H3/t17?,20-,21-,22+/m0/s1
InChIKey HKWJVZCFVUBWHZ-YFBRYZHBSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y6OE8NEwL
Name (4a.beta.,10.alpha.,10a.beta.)-(+-)-1,2,3,4,4a,9,10,10a-octahydro-10,10a-dihydroxy-10-(1-heptynyl)-3-methylphenanthrene
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Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-3-4-5-6-9-13-21(23)16-18-10-7-8-11-19(18)20-15-17(2)12-14-22(20,21)24/h7-8,10-11,17,20,23-24H,3-6,12,14-16H2,1-2H3/t17?,20-,21-,22+/m0/s1
InChIKey HKWJVZCFVUBWHZ-YFBRYZHBSA-N
Molecular Weight 326.480 g/mol
SMILES O[C@]1(Cc2ccccc2[C@]2([C@@]1(CCC(C2)C)O)[H])C#CCCCCC
SPLASH splash10-0a4i-0059000000-ebdb9dcc7dc6de4d920d
Source of Spectrum F-49-10350-6
Synonyms (4a.alpha.,10.alpha.,10a.alpha.)-(+-)-1,2,3,4,4a,9,10,10a-octahydro-10,10a-dihydroxy-10-(1-heptynyl)-3-methylphenanthrene (4bS,8aR,9R)-9-(1-heptynyl)-6-methyl-5,6,7,8,9,10-hexahydro-8a,9(4bH)-phenanthrenediol
Wiley ID 788711