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LUCIALDEHYDE-D;3,7,11-TRIOXO-5-ALPHA-LANOSTA-8,24-DIENE-26-AL
SpectraBase Compound ID FvgVliq4Yoy
InChI InChI=1S/C30H42O4/c1-18(17-31)9-8-10-19(2)20-11-14-29(6)26-21(32)15-23-27(3,4)24(34)12-13-28(23,5)25(26)22(33)16-30(20,29)7/h9,17,19-20,23H,8,10-16H2,1-7H3/b18-9+/t19-,20-,23+,28+,29+,30-/m1/s1
InChIKey KMWGWTNMXOQIAG-OLYQEQHRSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyUoN4ogzcD
Name 3,7,11-trioxo-5.alpha.-lanosta-8,24-dien-26-al
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-18(17-31)9-8-10-19(2)20-11-14-29(6)26-21(32)15-23-27(3,4)24(34)12-13-28(23,5)25(26)22(33)16-30(20,29)7/h9,17,19-20,23H,8,10-16H2,1-7H3/b18-9+/t19-,20-,23+,28+,29+,30-/m1/s1
InChIKey KMWGWTNMXOQIAG-OLYQEQHRSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1021/np0501886
Molecular Weight 466.662 g/mol
Optical Rotation [a]D20 = +46.8 (c = 0.100, CHCl3)
Reported Formula C30H43O4
SMILES C1C[C@]2([C@](C(C1=O)(C)C)(CC(C1=C2C(C[C@]2([C@]1(CC[C@@]2([C@](C)(CC\C=C\(C=O)C)[H])[H])C)C)=O)=O)[H])C
SPLASH splash10-014i-4983600000-158a69c331c584a4ca8d
Source of Spectrum G4-68-SM18-1
Synonyms Lucialdehyde D
Thin-Layer Chromatography Rf = 0.65
Wiley ID 1884072