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NEOLITACUMONE-B;1-BETA-HYDROXYEUDESMAN-4(15),7(11)-DIEN-8-ALPHA,12-OLIDE
SpectraBase Compound ID Lc1orIGvqmy
InChI InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h11-13,16H,1,4-7H2,2-3H3/t11?,12-,13+,15+/m0/s1
InChIKey UCBTXCZDWDKENW-MDRSIWMVSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1QDiX5bypk
Name 1.beta.-hydroxyeudesman-4(15),7(11)-dien-8.alpha.,12-olide
Alternate Name(s) Neolitacumone B
Appearance Colorless prisms
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h11-13,16H,1,4-7H2,2-3H3/t11?,12-,13+,15+/m0/s1
InChIKey UCBTXCZDWDKENW-MDRSIWMVSA-N
Instrument Name JEOL JMS-SX/SX 102A or Quattro GC-MS
Ionization Type EI
Literature Reference DOI 10.1021/np010236w
Molecular Weight 248.322 g/mol
Optical Rotation [a]D25 = +254 (c = 0.12, CHCl3)
Reported Formula C15H20O3
SMILES O[C@@]1(CCC(C2[C@]1(C[C@]1(C(C2)=C(C(O1)=O)C)[H])C)=C)[H]
SPLASH splash10-0075-3980000000-531e6df278e180627d1e
Source of Spectrum G4-65-258-2
Wiley ID 1881034