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(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one oxime

View entire compound with spectra: 1 MS (GC)

(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one oxime
SpectraBase Compound ID G7ZGyg6TV2U
InChI InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29-30)17-26(31-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26,30H,7-17H2,1-6H3/b29-21+/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1/i16D2,17D/t17-,19+,20+,22-,23+,24-,25-,26-,27+,28-/m0
InChIKey XJUUNTYFYPNKDG-HZHFJMBJSA-N
Mol Weight 434.7 g/mol
Molecular Formula C28H46D3NO2
Exact Mass 434.39516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kd1ftpO3nD
Name (1S,2S,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46D3NO2
InChI InChI=1S/C28H49NO2/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-20-16-21(29-30)17-26(31-6)28(20,5)25(22)14-15-27(23,24)4/h18-20,22-26,30H,7-17H2,1-6H3/b29-21+/t19-,20-,22+,23-,24+,25+,26+,27-,28+/m1/s1/i16D2,17D/t17-,19+,20+,22-,23+,24-,25-,26-,27+,28-/m0
InChIKey XJUUNTYFYPNKDG-HZHFJMBJSA-N
Molecular Weight 434.723 g/mol
SMILES O\N=C\1[C@@]([C@@]([C@]2([C@@](C1([D])[D])(CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C)(OC)[H])([D])[H]
SPLASH splash10-0lgi-9702700000-743f707384a253b24cfc
Source of Spectrum KC-1992-3109-19
Synonyms (1S,2S,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-17-[(1R)-1,5-dimethylhexyl]-1-methoxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one oxime (NZ)-N-[(1S,2S,5R,8S,9S,10S,13R,14S,17R)-2,4,4-trideuterio-1-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ylidene]hydroxylamine
Wiley ID 777368