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1,4,4a,4b,5,6,10,10a-Octahydro-10a.beta.-[(1-ethoxyethoxy)-methyl]-2-methoxycarbonyl-4b.beta.,8-dimethyl-1.alpha.-vinylphenanthrene
SpectraBase Compound ID HWaS7MCsY4E
InChI InChI=1S/C25H36O4/c1-7-20-19(23(26)27-6)11-12-22-24(5)14-9-10-17(3)21(24)13-15-25(20,22)16-29-18(4)28-8-2/h7,10-11,13,18,20,22H,1,8-9,12,14-16H2,2-6H3/t18?,20-,22?,24-,25+/m1/s1
InChIKey ASRRUQTXBPPVTB-TXKXSJBVSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeMv4HnvOXV
Name 1,4,4a,4b,5,6,10,10a-Octahydro-10a.beta.-[(1-ethoxyethoxy)-methyl]-2-methoxycarbonyl-4b.beta.,8-dimethyl-1.alpha.-vinylphenanthrene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-7-20-19(23(26)27-6)11-12-22-24(5)14-9-10-17(3)21(24)13-15-25(20,22)16-29-18(4)28-8-2/h7,10-11,13,18,20,22H,1,8-9,12,14-16H2,2-6H3/t18?,20-,22?,24-,25+/m1/s1
InChIKey ASRRUQTXBPPVTB-TXKXSJBVSA-N
Molecular Weight 400.559 g/mol
SMILES [C@@]12(C([C@@]3(CCC=C(C3=CC2)C)C)CC=C([C@]1(C=C)[H])C(=O)OC)COC(OCC)C
SPLASH splash10-022a-8069000000-ee92a718155dfca11aca
Source of Spectrum AJ-61-3600-60
Synonyms Methyl (1S,4bS,10aR)-10a-[(1-ethoxyethoxy)methyl]-4b,8-dimethyl-1-vinyl-1,4,4a,4b,5,6,10,10a-octahydro-2-phenanthrenecarboxylate
Wiley ID 1369593