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(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SpectraBase Compound ID KGQcSlKCGbY
InChI InChI=1S/C19H27N3O2/c1-18-8-7-14-12(13(18)5-6-17(18)24)4-3-11-9-16(23)15(21-22-20)10-19(11,14)2/h10-14,17,24H,3-9H2,1-2H3/t11-,12-,13-,14-,17-,18-,19-/m0/s1
InChIKey ZLDPLUYNOBUEAG-VWJMYWFESA-N
Mol Weight 329.44 g/mol
Molecular Formula C19H27N3O2
Exact Mass 329.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RwvsB7yyh4
Name (5S,8R,9S,10S,13S,14S,17S)-2-azido-10,13-dimethyl-17-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27N3O2
InChI InChI=1S/C19H27N3O2/c1-18-8-7-14-12(13(18)5-6-17(18)24)4-3-11-9-16(23)15(21-22-20)10-19(11,14)2/h10-14,17,24H,3-9H2,1-2H3/t11-,12-,13-,14-,17-,18-,19-/m0/s1
InChIKey ZLDPLUYNOBUEAG-VWJMYWFESA-N
Molecular Weight 329.444 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(C=C(N=[N+]=[N-])C(C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])=O)C)[H])C)[H]
SPLASH splash10-0ue9-0029000000-327e3fd2dd55c50a8592
Source of Spectrum Y-30-1638-18
Synonyms (5S,8R,9S,10S,13S,14S,17S)-2-azido-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID 761297