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1,2-Epoxycholestan-3-one
SpectraBase Compound ID 1O9Qqu1CZBS
InChI InChI=1S/C27H44O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(28)24-25(29-24)27(18,5)22(19)13-14-26(20,21)4/h16-22,24-25H,6-15H2,1-5H3
InChIKey MIZVOWCZXWETAQ-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck1HeJZqhtY
Name 6-(1,5-DIMETHYLHEXYL)-3B,5A-DIMETHYLHEXADECAHYDRO-2H-CYCLOPENTA[7,8]PHENANTHRO[3,4-B]OXIREN-2-ONE
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Exact Mass 400.334130655 u
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(28)24-25(29-24)27(18,5)22(19)13-14-26(20,21)4/h16-22,24-25H,6-15H2,1-5H3
InChIKey MIZVOWCZXWETAQ-UHFFFAOYSA-N
Molecular Weight 400.647 g/mol
Nominal Mass 400 u
Number of Peaks 274
SMILES C12OC2C2(C3CCC4(C(C3CCC2CC1=O)CCC4C(CCCC(C)C)C)C)C
SPLASH splash10-052e-9740100000-6336e8bdc962a8f3d39c
Source File Reference LMCM-13371-284X
Synonyms 2,16-dimethyl-15-(6-methylheptan-2-yl)-4-oxapentacyclo[9.7.0.0(2,8).0(3,5).0(12,16)]octadecan-6-one
Wiley ID 8_8692