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Loba-8,10,13(15)-triene-17,18-diol - 18-Acetate
SpectraBase Compound ID BgcYXpsNs8R
InChI InChI=1S/C22H36O3/c1-9-22(8)13-12-18(14-19(22)15(2)3)16(4)10-11-20(21(6,7)24)25-17(5)23/h9-10,18-20,24H,1-2,11-14H2,3-8H3/b16-10+/t18-,19+,20+,22-/m0/s1
InChIKey NSAAWTDAMZJSEO-RMQVCNTQSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqkAfk9bvG6
Name Loba-8,10,13(15)-triene-17,18-diol - 18-Acetate
Alternate Name(s) Acetic acid [(E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-(1-methylethenyl)cyclohexyl]-2-hydroxy-2-methylhept-5-en-3-yl] ester [(E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-2-hydroxy-2-methylhept-5-en-3-yl] acetate [(E,1R)-1-(1-hydroxy-1-methyl-ethyl)-4-[(1S,3R,4R)-3-isopropenyl-4-methyl-4-vinyl-cyclohexyl]pent-3-enyl] acetate [(E,3R)-6-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-yl-cyclohexyl]-2-methyl-2-oxidanyl-hept-5-en-3-yl] ethanoate
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Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-9-22(8)13-12-18(14-19(22)15(2)3)16(4)10-11-20(21(6,7)24)25-17(5)23/h9-10,18-20,24H,1-2,11-14H2,3-8H3/b16-10+/t18-,19+,20+,22-/m0/s1
InChIKey NSAAWTDAMZJSEO-RMQVCNTQSA-N
Molecular Weight 348.527 g/mol
SMILES OC([C@](OC(=O)C)(C\C=C\([C@@]1(C[C@@]([C@@](C=C)(CC1)C)(C(=C)C)[H])[H])C)[H])(C)C
SPLASH splash10-0536-8930000000-52341d8f941300b94e9d
Source of Spectrum G4-61-361-7
Wiley ID 1607142