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1,3,4,4a,4b,5,8a,9-Octahydro-8a.beta.-[(1-ethoxyethoxy)-methyl]-7-methoxycarbonyl-1.alpha.,4a.beta.-dimethyl-2,6-phenan-threnedione 2-(Ethylene Acetal)
SpectraBase Compound ID DYji1uVUy8k
InChI InChI=1S/C25H36O7/c1-6-29-17(4)30-14-24-8-7-18-16(3)25(31-9-10-32-25)15(2)11-19(18)21(24)12-22(26)20(13-24)23(27)28-5/h7,13,15-17,19,21H,6,8-12,14H2,1-5H3/t15?,16-,17?,19-,21?,24-/m0/s1
InChIKey JRVYJWSSYPFJTR-WJSSJFFUSA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H36O7
Exact Mass 448.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWcb1HN8sGt
Name 1,3,4,4a,4b,5,8a,9-Octahydro-8a.beta.-[(1-ethoxyethoxy)-methyl]-7-methoxycarbonyl-1.alpha.,4a.beta.-dimethyl-2,6-phenan-threnedione 2-(Ethylene Acetal)
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Formula C25H36O7
InChI InChI=1S/C25H36O7/c1-6-29-17(4)30-14-24-8-7-18-16(3)25(31-9-10-32-25)15(2)11-19(18)21(24)12-22(26)20(13-24)23(27)28-5/h7,13,15-17,19,21H,6,8-12,14H2,1-5H3/t15?,16-,17?,19-,21?,24-/m0/s1
InChIKey JRVYJWSSYPFJTR-WJSSJFFUSA-N
Molecular Weight 448.556 g/mol
SMILES C1(=C[C@@]2(CC=C3[C@@](C2CC1=O)(CC(C1(OCCO1)[C@]3(C)[H])C)[H])COC(OCC)C)C(=O)OC
SPLASH splash10-0002-9000000000-971e3daed2138f483c72
Source of Spectrum AJ-61-3598-43
Synonyms Methyl (1'S,4'aR,8'aS)-8'a-[(1-ethoxyethoxy)methyl]-1',3'-dimethyl-6'-oxo-3',4',4'a,4'b,5',6',8'a,9'-octahydro-1'H-spiro[1,3-dioxolane-2,2'-phenanthrene]-7'-carboxylate
Wiley ID 1387186