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

View entire compound with spectra: 1 MS (GC)

(8S,9S,11S,13S,14S,16R,17S)-16-chloranyl-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 2U7mvLvfRuI
InChI InChI=1S/C20H27ClO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-19,22-23H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKey VQLNYAXIYCOFEK-JHQBWLJPSA-N
Mol Weight 350.89 g/mol
Molecular Formula C20H27ClO3
Exact Mass 350.164872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EUaQoVakHe
Name (8S,9S,11S,13S,14S,16R,17S)-16-chloranyl-11-ethoxy-13-methyl-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 C20H27ClO3
InChI InChI=1S/C20H27ClO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-19,22-23H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKey VQLNYAXIYCOFEK-JHQBWLJPSA-N
Molecular Weight 350.886 g/mol
SMILES O[C@@]1([C@@](C[C@]2([C@@]3(CCc4c(ccc(c4)O)[C@]3([C@](C[C@]12C)(OCC)[H])[H])[H])[H])(Cl)[H])[H]
SPLASH splash10-0002-0911000000-a5ea24a23fc5c6998636
Source of Spectrum E1-36-270-15
Synonyms (8S,9S,11S,13S,14S,16R,17S)-16-chloro-11-ethoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Wiley ID 1574610