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ATRACTYLIGENIN
SpectraBase Compound ID LKXGpwBY7dr
InChI InChI=1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h11-16,20-21H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,15+,16+,18-,19-/m1/s1
InChIKey YRHWUYVCCPXYMB-JIMOHSCASA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuhDvbKc5HJ
Name (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-carboxylic acid
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Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h11-16,20-21H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13-,14-,15+,16+,18-,19-/m1/s1
InChIKey YRHWUYVCCPXYMB-JIMOHSCASA-N
Instrument Name JEOL JMS-01-SG-2
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290060506
Molecular Weight 320.429 g/mol
SMILES OC([C@@]1(C[C@](C[C@]2([C@]3([C@@]4([C@](C([C@](CC3)(C4)[H])=C)(O)[H])CC[C@]12[H])[H])C)(O)[H])[H])=O
SPLASH splash10-0udi-4369000000-bf9422e86e4d422830a7
Source of Spectrum RCM-6-342-4
Wiley ID 1835557