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(7R,8R,9S,13S,14S,16R,17S)-16-bromanyl-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

View entire compound with spectra: 1 MS (GC)

(7R,8R,9S,13S,14S,16R,17S)-16-bromanyl-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID fDV0FTPgjK
InChI InChI=1S/C19H25BrO2/c1-10-7-11-8-12(21)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(20)18(19)22/h3-4,8,10,14-18,21-22H,5-7,9H2,1-2H3/t10-,14-,15+,16-,17-,18-,19+/m1/s1
InChIKey ZHJMBYOGCJWPTK-GIXKKARUSA-N
Mol Weight 365.31 g/mol
Molecular Formula C19H25BrO2
Exact Mass 364.103793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZJMEctHmq
Name (7R,8R,9S,13S,14S,16R,17S)-16-bromanyl-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25BrO2
InChI InChI=1S/C19H25BrO2/c1-10-7-11-8-12(21)3-4-13(11)14-5-6-19(2)15(17(10)14)9-16(20)18(19)22/h3-4,8,10,14-18,21-22H,5-7,9H2,1-2H3/t10-,14-,15+,16-,17-,18-,19+/m1/s1
InChIKey ZHJMBYOGCJWPTK-GIXKKARUSA-N
Molecular Weight 365.311 g/mol
SMILES O[C@@]1([C@@](C[C@]2([C@@]3([C@@](Cc4c(ccc(c4)O)[C@]3(CC[C@]12C)[H])(C)[H])[H])[H])(Br)[H])[H]
SPLASH splash10-05tb-0932000000-7f74d1bd5f00e8c070af
Source of Spectrum E1-36-268-7
Synonyms (7R,8R,9S,13S,14S,16R,17S)-16-bromo-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574627