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(5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one oxime
SpectraBase Compound ID 167IhA1rtO
InChI InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21+/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2
InChIKey OLTJIGUXZOBJMV-VKIPVQAZSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H422D3NO
Exact Mass 402.368945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFKQggPNRat
Name (5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42D3NO
InChI InChI=1S/C27H45NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h13,15,18-20,22-25,29H,6-12,14,16-17H2,1-5H3/b28-21+/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1/i13D,17D2
InChIKey OLTJIGUXZOBJMV-VKIPVQAZSA-N
Molecular Weight 402.681 g/mol
SMILES O\N=C\1C([C@@]2([C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(C=C1[2D])C)[H])([2D])[2D]
SPLASH splash10-0zi0-9700600000-1ecb5c53ac8e68d6d59b
Source of Spectrum KC-1992-3109-18
Synonyms (5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-one oxime (NZ)-N-[(5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthren-3-ylidene]hydroxylamine
Wiley ID 777374