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delta1-13,14-Dihydromarrubiagenin methyl ester
SpectraBase Compound ID 1I8nyUsi3er
InChI InChI=1S/C21H30O4/c1-14-8-10-21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)11-9-15-12-18(22)25-13-15/h5-7,14-15,17H,8-13H2,1-4H3/t14-,15?,17-,20+,21-/m1/s1
InChIKey RONBOCAWRIJIKY-DCFBGGIKSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E16xjxgFpPX
Name delta1-13,14-Dihydromarrubiagenin methyl ester
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14-8-10-21(3)16(19(23)24-4)6-5-7-17(21)20(14,2)11-9-15-12-18(22)25-13-15/h5-7,14-15,17H,8-13H2,1-4H3/t14-,15?,17-,20+,21-/m1/s1
InChIKey RONBOCAWRIJIKY-DCFBGGIKSA-N
Molecular Weight 346.467 g/mol
SMILES C=1C=C(C(=O)OC)[C@]2(CC[C@]([C@](CCC3CC(=O)OC3)([C@]2(C1)[H])C)(C)[H])C
SPLASH splash10-0udi-0911000000-628330d4f4f37075739c
Source of Spectrum K-106-2941-11
Synonyms Methyl (4aR,5S,6R,8aS)-5,6,8a-trimethyl-5-(2-(5-oxotetrahydrofuran-3-yl)ethyl)-4a,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate
Wiley ID 1793551