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(5S,8R,9S,10S,13S,14S)-17-iodanyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID 68ubfr1VdVE
InChI InChI=1S/C19H27I/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,9,13-16H,5-8,10-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey OPBQCBYZHZVXME-HKQXQEGQSA-N
Mol Weight 382.33 g/mol
Molecular Formula C19H27I
Exact Mass 382.115746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFzP4SRmCch
Name (5S,8R,9S,10S,13S,14S)-17-iodanyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene
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Formula C19H27I
InChI InChI=1S/C19H27I/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,9,13-16H,5-8,10-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey OPBQCBYZHZVXME-HKQXQEGQSA-N
Molecular Weight 382.329 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC=CC4)C)[H])[H])(CC=C1I)[H])C
SPLASH splash10-0159-0019000000-21344476053ea63d6792
Source of Spectrum SK-32-2133-16
Synonyms (5S,8R,9S,10S,13S,14S)-17-iodo-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 1548789