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1H-Benz[e]indene-6-propanal, 3-(acetyloxy)dodecahydro-8-(hydroxyimino)-3a-methyl-7-(1-methylethylidene)-, [3S-(3.alpha.,3a.alpha.,5.beta.,6.beta.,8Z,9a.alpha.,9b.beta.)]-
SpectraBase Compound ID Gm3u73uIMNP
InChI InChI=1S/C22H33NO4/c1-13(2)21-16(6-5-11-24)15-9-10-22(4)18(17(15)12-19(21)23-26)7-8-20(22)27-14(3)25/h11,15-18,20,26H,5-10,12H2,1-4H3/b23-19-/t15?,16-,17-,18+,20+,22+/m1/s1
InChIKey GZHOGIKNIIEDJZ-UQMQNZHZSA-N
Mol Weight 375.5 g/mol
Molecular Formula C22H33NO4
Exact Mass 375.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56qm8fY3vBc
Name 1H-Benz[e]indene-6-propanal, 3-(acetyloxy)dodecahydro-8-(hydroxyimino)-3a-methyl-7-(1-methylethylidene)-, [3S-(3.alpha.,3a.alpha.,5.beta.,6.beta.,8Z,9a.alpha.,9b.beta.)]-
CAS Registry Number 83995-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33NO4
InChI InChI=1S/C22H33NO4/c1-13(2)21-16(6-5-11-24)15-9-10-22(4)18(17(15)12-19(21)23-26)7-8-20(22)27-14(3)25/h11,15-18,20,26H,5-10,12H2,1-4H3/b23-19-/t15?,16-,17-,18+,20+,22+/m1/s1
InChIKey GZHOGIKNIIEDJZ-UQMQNZHZSA-N
Molecular Weight 375.509 g/mol
SMILES O\N=C/1C(=C(C)C)[C@@](C2[C@]([C@]3([C@]([C@@](OC(=O)C)(CC3)[H])(C)CC2)[H])(C1)[H])(CCC=O)[H]
SPLASH splash10-0006-9005000000-d644f7dfe3f44b2bd459
Source of Spectrum KC-1982-1966-0
Synonyms A-Decyclo-17.beta.-acetoxy-4,4-dimethylestr-5-en-3.beta.-oxime-aldehyde (isomer B) (3S,3aS,6R,8Z,9aR,9bS)-8-(hydroxyimino)-3a-methyl-7-(1-methylethylidene)-6-(3-oxopropyl)dodecahydro-1H-cyclopenta[a]naphthalen-3-yl acetate A-decyclo-17.beta.-acetoxy-4,4-dimethylestr-5-en-3.beta.-oxime-aldehyde (isomer a) A-homo-17.beta.-acetoxy-4,4-dimethylestr-5-en-3.beta.-N-hydroxy-lactam
Wiley ID 1357263