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(3S,5R,8R,9S,10S,13S,14S,17R)-17-iodanyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13S,14S,17R)-17-iodanyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID 5H9k5sObGc9
InChI InChI=1S/C19H31IO2/c1-17-8-5-13(21)11-12(17)3-4-15-14(17)6-9-18(2)16(20)7-10-19(15,18)22/h12-16,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18-,19+/m1/s1
InChIKey FDNFLJYLTGATJW-AFTVTRPQSA-N
Mol Weight 418.36 g/mol
Molecular Formula C19H31IO2
Exact Mass 418.136875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1N5dfAefGHO
Name (3S,5R,8R,9S,10S,13S,14S,17R)-17-iodanyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Alternate Name(s) (3S,5R,8R,9S,10S,13S,14S,17R)-17-iodo-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31IO2
InChI InChI=1S/C19H31IO2/c1-17-8-5-13(21)11-12(17)3-4-15-14(17)6-9-18(2)16(20)7-10-19(15,18)22/h12-16,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18-,19+/m1/s1
InChIKey FDNFLJYLTGATJW-AFTVTRPQSA-N
Molecular Weight 418.359 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@]4(I)[H])O)C)[H])C)[H]
SPLASH splash10-05fr-0090000000-a48cd921ec7d00ef76a5
Source of Spectrum G-56-1067-0
Wiley ID 748337