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(2S,6E,10R,13R,17R)-17-(1,5-dimethylhexyl)-2-hydroxy-6-hydroxyimino-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

View entire compound with spectra: 1 MS (GC)

(2S,6E,10R,13R,17R)-17-(1,5-dimethylhexyl)-2-hydroxy-6-hydroxyimino-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID AJKmOfdt6NG
InChI InChI=1S/C27H43NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,25,30-31H,6-13,15H2,1-5H3/b28-23+/t17?,18?,19-,20?,21?,25+,26-,27-/m1/s1
InChIKey GJRHBVPNSJKQGM-ZNSGTWCQSA-N
Mol Weight 429.6 g/mol
Molecular Formula C27H43NO3
Exact Mass 429.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXpMImYJ8bi
Name (2S,6E,10R,13R,17R)-17-(1,5-dimethylhexyl)-2-hydroxy-6-hydroxyimino-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO3
InChI InChI=1S/C27H43NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,25,30-31H,6-13,15H2,1-5H3/b28-23+/t17?,18?,19-,20?,21?,25+,26-,27-/m1/s1
InChIKey GJRHBVPNSJKQGM-ZNSGTWCQSA-N
Molecular Weight 429.645 g/mol
SMILES O[C@]1(C[C@]2(C(\C(=N\O)CC3C2CC[C@@]2([C@](CCC32)(C(CCCC(C)C)C)[H])C)=CC1=O)C)[H]
SPLASH splash10-01q9-0009800000-e563c96f770bc74498db
Source of Spectrum F2-44-2617-21
Synonyms (2S,6E,10R,13R,17R)-17-(1,5-dimethylhexyl)-6-hydroximino-2-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (2S,6E,10R,13R,17R)-2-hydroxy-6-hydroxyimino-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one (2S,6E,10R,13R,17R)-6-hydroxyimino-10,13-dimethyl-17-(6-methylheptan-2-yl)-2-oxidanyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID 1639288