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(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-one oxime
SpectraBase Compound ID 21iUB6cQEwP
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28-29)27(20,5)24(21)16-17-26(22,23)4/h7,11,18-24,29H,6,8-10,12-17H2,1-5H3/b28-25+/t19-,20-,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey VEWYAOHWXWFQGK-XYSGZWTBSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91vcIDdv8tM
Name (5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-one oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28-29)27(20,5)24(21)16-17-26(22,23)4/h7,11,18-24,29H,6,8-10,12-17H2,1-5H3/b28-25+/t19-,20-,21+,22-,23+,24+,26-,27+/m1/s1
InChIKey VEWYAOHWXWFQGK-XYSGZWTBSA-N
Molecular Weight 399.663 g/mol
SMILES O\N=C\1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC=C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C
SPLASH splash10-001i-0209000000-568f1c8dc88513395e2e
Source of Spectrum KC-0-3246-15
Synonyms (5S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-one oxime (NE)-N-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-ylidene]hydroxylamine
Wiley ID 782662