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Methyl 2-oxo-3.beta.,4.beta.-epoxyneo-clerodan-15-olate
SpectraBase Compound ID 5jNv00SxEKc
InChI InChI=1S/C21H34O4/c1-13(11-17(23)24-6)7-9-19(3)14(2)8-10-20(4)16(19)12-15(22)18-21(20,5)25-18/h13-14,16,18H,7-12H2,1-6H3/t13?,14-,16?,18+,19+,20-,21+/m1/s1
InChIKey DJHQRAWQOJCNAZ-XNOUVTFRSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZUbddxqgFh
Name Methyl 2-oxo-3.beta.,4.beta.-epoxyneo-clerodan-15-olate
Alternate Name(s) Methyl 5-[(1aR,4S,5R,7aR,7bR)-4,5,7a,7b-tetramethyl-2-oxodecahydronaphtho[1,2-b]oxiren-4-yl]-3-methylpentanoate
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Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-13(11-17(23)24-6)7-9-19(3)14(2)8-10-20(4)16(19)12-15(22)18-21(20,5)25-18/h13-14,16,18H,7-12H2,1-6H3/t13?,14-,16?,18+,19+,20-,21+/m1/s1
InChIKey DJHQRAWQOJCNAZ-XNOUVTFRSA-N
Molecular Weight 350.499 g/mol
SMILES [C@]12([C@](C(=O)CC3[C@]2(CC[C@@](C)([C@@]3(CCC(CC(=O)OC)C)C)[H])C)(O1)[H])C
SPLASH splash10-000b-9204000000-87c1a40616a713a7042e
Source of Spectrum F-50-10798-9
Wiley ID 789408