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3,4-Secocholest-5-en-4-al, 3,3-bis(1-methylethoxy)-, oxime
SpectraBase Compound ID J5JCAvipNEW
InChI InChI=1S/C33H59NO3/c1-22(2)11-10-12-25(7)28-15-16-29-27-14-13-26(21-34-35)32(8,30(27)17-19-33(28,29)9)20-18-31(36-23(3)4)37-24(5)6/h13,21-25,27-31,35H,10-12,14-20H2,1-9H3/b34-21+/t25-,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey GAIYJSJFHPQYJZ-XXIRYAOVSA-N
Mol Weight 517.8 g/mol
Molecular Formula C33H59NO3
Exact Mass 517.449495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTQyaTayKsA
Name 3,4-Secocholest-5-en-4-al, 3,3-bis(1-methylethoxy)-, oxime
CAS Registry Number 81920-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H59NO3
InChI InChI=1S/C33H59NO3/c1-22(2)11-10-12-25(7)28-15-16-29-27-14-13-26(21-34-35)32(8,30(27)17-19-33(28,29)9)20-18-31(36-23(3)4)37-24(5)6/h13,21-25,27-31,35H,10-12,14-20H2,1-9H3/b34-21+/t25-,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey GAIYJSJFHPQYJZ-XXIRYAOVSA-N
Molecular Weight 517.839 g/mol
SMILES O\N=C\C=1[C@@]([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC(OC(C)C)OC(C)C)C
SPLASH splash10-001s-9201000000-b059bfceb1462776512d
Source of Spectrum KC-1982-115-0
Synonyms (3R,3aR,5aS,6R,9aS,9bS)-6-(3,3-diisopropoxypropyl)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-7-carbaldehyde oxime 3,3-Bisisopropoxy-3,4-secocholest-5-en-4-one-oxime
Wiley ID 1401582