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((2S,4aS,10aR)-2-hydroxy-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-yl)methylacetate
SpectraBase Compound ID AYLuEnXLiCA
InChI InChI=1S/C23H32O4/c1-14(2)17-7-10-20-18(21(17)26-6)8-9-19-15(3)23(25,13-27-16(4)24)12-11-22(19,20)5/h7,10,14,19,25H,3,8-9,11-13H2,1-2,4-6H3/t19-,22-,23+/m0/s1
InChIKey URTPBWXLKMXUFP-AJSBUHFISA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIVBizgKY2v
Name ((2S,4aS,10aR)-2-hydroxy-7-isopropyl-8-methoxy-4a-methyl-1-methylene-1,2,3,4,4a,9,10,10a-octahydrophenanthren-2-yl)methylacetate
Alternate Name(s) acetic acid [(2S,4aS,10aR)-2-hydroxy-8-methoxy-4a-methyl-1-methylene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]methyl ester [(2S,4aS,10aR)-2-hydroxy-8-methoxy-4a-methyl-1-methylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]methyl acetate [(2S,4aS,10aR)-2-hydroxy-7-isopropyl-8-methoxy-4a-methyl-1-methylene-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]methyl acetate [(2S,4aS,10aR)-8-methoxy-4a-methyl-1-methylidene-2-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-yl]methyl ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14(2)17-7-10-20-18(21(17)26-6)8-9-19-15(3)23(25,13-27-16(4)24)12-11-22(19,20)5/h7,10,14,19,25H,3,8-9,11-13H2,1-2,4-6H3/t19-,22-,23+/m0/s1
InChIKey URTPBWXLKMXUFP-AJSBUHFISA-N
Molecular Weight 372.505 g/mol
SMILES O[C@]1(CC[C@@]2(c3c(c(OC)c(cc3)C(C)C)CC[C@]2(C1=C)[H])C)COC(=O)C
SPLASH splash10-0002-0093000000-74a590ee0cbaf6e184f9
Source of Spectrum F-67-906-9
Wiley ID 1685626