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2-Phenanthrenol, tetradecahydro-1-(iodomethyl)-2,4b-dimethyl-, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
SpectraBase Compound ID BIxB2wFyp8m
InChI InChI=1S/C17H29IO/c1-16-9-4-3-5-12(16)6-7-13-14(16)8-10-17(2,19)15(13)11-18/h12-15,19H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+/m1/s1
InChIKey GQVKYFSUQNAPGQ-XDKXFUCDSA-N
Mol Weight 376.32 g/mol
Molecular Formula C17H29IO
Exact Mass 376.126311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fTHZ5xGtcZ
Name 2-Phenanthrenol, tetradecahydro-1-(iodomethyl)-2,4b-dimethyl-, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
CAS Registry Number 132088-04-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H29IO
InChI InChI=1S/C17H29IO/c1-16-9-4-3-5-12(16)6-7-13-14(16)8-10-17(2,19)15(13)11-18/h12-15,19H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+/m1/s1
InChIKey GQVKYFSUQNAPGQ-XDKXFUCDSA-N
Molecular Weight 376.322 g/mol
SMILES O[C@]1(CC[C@@]2([C@@]3([C@@](CCCC3)([H])CC[C@]2([C@@]1(CI)[H])[H])C)[H])C
SPLASH splash10-001i-0090000000-0966df9ba46defb8d945
Source of Spectrum KC-1990-2829-23
Synonyms (1S,2S,4aS,4bS,8aR,10aR)-1-(iodomethyl)-2,4b-dimethyltetradecahydro-2-phenanthrenol 13-Hydroxy-15-iodomethyl-d,d-dinor-13,15-seco-5.alpha.-androstane
Wiley ID 1357520