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EPI-PALUSTIC-ACID
SpectraBase Compound ID 94P5OPUksVZ
InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey MLBYBBUZURKHAW-RLLQIKCJSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fj23cP8OVeR
Name Epipalustric Acid
Alternate Name(s) (1S,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
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Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12-13,17H,5-11H2,1-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey MLBYBBUZURKHAW-RLLQIKCJSA-N
Molecular Weight 302.458 g/mol
SMILES OC([C@@]1([C@]2([C@@](C3=C(C=C(CC3)C(C)C)CC2)(CCC1)C)[H])C)=O
SPLASH splash10-000i-0293000000-5b783aa558a34fe81c6f
Source of Spectrum G4-61-911-3
Wiley ID 1607342