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TRIGONOCHINENE_B;METHYL_8-ALPHA-HYDROXY-12-OXO-3,4-SCEOCLEISTANTH-9-(11),13,15,19-(4)-TETRAEN-3-OATE
SpectraBase Compound ID Cjelzq4d1GS
InChI InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1
InChIKey ZFLNGJFWUHGMKC-HBGVWJBISA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Hhm5YOWMha
Name 3,8-Dimethyl-4-ethenyl-4a.alpha.-hydroxy-6-(1'-methylethenyl)-8-[2'-(methoxycarbonyl)ethy]]-2,5,6,7,8,10-hexahydronaphthalen-2-one
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Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-7-15-14(4)17(22)12-18-20(5,10-9-19(23)25-6)16(13(2)3)8-11-21(15,18)24/h7,12,16,24H,1-2,8-11H2,3-6H3/t16-,20-,21+/m1/s1
InChIKey ZFLNGJFWUHGMKC-HBGVWJBISA-N
Molecular Weight 344.451 g/mol
SMILES O[C@]12C([C@@]([C@](C(=C)C)([H])CC2)(CCC(=O)OC)C)=CC(=O)C(=C1C=C)C
SPLASH splash10-0bvl-1396000000-77af0c91ec016d6696cd
Source of Spectrum G4-71-1417-2
Synonyms Methyl 8.alpha.-hydroxy-12-oxo-3,4-seco-Leistanth-9(11),13,15,19(4)-tetraen-3-oate Trogonochinene B 3-[(1R,2R,4aR)-5-ethenyl-4a-hydroxy-1,6-dimethyl-2-(1-methylethenyl)-7-oxo-3,4-dihydro-2H-naphthalen-1-yl]propanoic acid methyl ester Methyl 3-[(1R,2R,4aR)-5-ethenyl-4a-hydroxy-1,6-dimethyl-7-oxo-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoate Methyl 3-[(1R,2R,4aR)-4a-hydroxy-2-isopropenyl-1,6-dimethyl-7-oxo-5-vinyl-3,4-dihydro-2H-naphthalen-1-yl]propanoate Methyl 3-[(1R,2R,4aR)-5-ethenyl-1,6-dimethyl-4a-oxidanyl-7-oxidanylidene-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoate
Wiley ID 1695090