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ATRACTYLIGENIN
SpectraBase Compound ID B3UdJJIQghH
InChI InChI=1S/C20H30O4/c1-11-12-4-5-16-19(2)10-13(21)8-14(18(23)24-3)15(19)6-7-20(16,9-12)17(11)22/h12-17,21-22H,1,4-10H2,2-3H3/t12-,13-,14-,15-,16+,17+,19-,20-/m1/s1
InChIKey LRDGZVRKJBNZAE-HVMRACGOSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2COrmlrUJKY
Name methyl (1R,4R,5R,7R,9R,10S,13R,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane-5-carboxylate
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Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-11-12-4-5-16-19(2)10-13(21)8-14(18(23)24-3)15(19)6-7-20(16,9-12)17(11)22/h12-17,21-22H,1,4-10H2,2-3H3/t12-,13-,14-,15-,16+,17+,19-,20-/m1/s1
InChIKey LRDGZVRKJBNZAE-HVMRACGOSA-N
Instrument Name JEOL JMS-01-SG-2
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290060506
Molecular Weight 334.456 g/mol
SMILES O[C@]1(C([C@@]2(CC[C@@]3([C@@]1(CC[C@]1([C@]3(C[C@@](C[C@]1(C(=O)OC)[H])(O)[H])C)[H])C2)[H])[H])=C)[H]
SPLASH splash10-014i-1209000000-63a507927d1d7fe530d1
Source of Spectrum RCM-6-342-7
Wiley ID 1835560