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(3S,4R,5R,9S,10S,11S)-Morelian-7-one
SpectraBase Compound ID IV1raAXiHh3
InChI InChI=1S/C15H24O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h8-11,13-14H,5-7H2,1-4H3/t8-,9+,10-,11-,13+,14+/m0/s1
InChIKey AYLYDRPIUBSDON-XSFWNMJMSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ShY66YDiEB
Name (3S,4R,5R,9S,10S,11S)-Morelian-7-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
InChI InChI=1S/C15H24O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h8-11,13-14H,5-7H2,1-4H3/t8-,9+,10-,11-,13+,14+/m0/s1
InChIKey AYLYDRPIUBSDON-XSFWNMJMSA-N
Instrument Name Hewlett-Packard 5989A or Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np030354e
Molecular Weight 220.356 g/mol
Optical Rotation [a]D = +13 (c = 0.75)
Reported Formula C15H24O
SMILES C1C[C@@]2([C@@]3([C@]([C@]1(C)[H])([C@@](CC(C3(C)C)=O)([C@@]2(C)[H])[H])[H])[H])[H]
SPLASH splash10-00gs-4930000000-bb4e0ded420c7861a68d
Source of Spectrum G4-67-192-11
Wiley ID 1881653