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4',4'-Dichloro-spiro[5-.alpha.-cholestane-3,3'-tetrahydrofuran]-5'-one
SpectraBase Compound ID KI9gqVDbUJC
InChI InChI=1S/C30H48Cl2O2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(18-34-26(33)30(29,31)32)16-15-27(21,4)25(22)13-14-28(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,27+,28-,29?/m1/s1
InChIKey LQIIVWXQOPLNEZ-WHKXXIQISA-N
Mol Weight 511.6 g/mol
Molecular Formula C30H48Cl2O2
Exact Mass 510.303136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aqIazakWDb
Name 4',4'-Dichloro-spiro[5-.alpha.-cholestane-3,3'-tetrahydrofuran]-5'-one
Alternate Name(s) (1'S,2'S,7'S,10'R,11'S,14'R,15'R)-4,4-dichloro-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[oxolane-3,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-5-one
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Formula C30H48Cl2O2
InChI InChI=1S/C30H48Cl2O2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(18-34-26(33)30(29,31)32)16-15-27(21,4)25(22)13-14-28(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,27+,28-,29?/m1/s1
InChIKey LQIIVWXQOPLNEZ-WHKXXIQISA-N
Molecular Weight 511.618 g/mol
SMILES C12(C(C(=O)OC2)(Cl)Cl)C[C@@]2(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H]
SPLASH splash10-014l-9218110000-d4f92d510438055cb215
Source of Spectrum U-1995-344-13
Wiley ID 766461