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2-HYDROXYCHOLESTAN-3-YL ACETATE
SpectraBase Compound ID IwNE07mANc4
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27(32-20(4)30)26(31)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-27,31H,7-17H2,1-6H3/t19-,21?,22?,23-,24?,25?,26?,27?,28-,29+/m1/s1
InChIKey HFJDAIVNDINPBV-JDCJCBGJSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kk26EYHt3PR
Name 2-HYDROXYCHOLESTAN-3-YL ACETATE
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Exact Mass 446.375995467 u
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-18(2)8-7-9-19(3)23-12-13-24-22-11-10-21-16-27(32-20(4)30)26(31)17-29(21,6)25(22)14-15-28(23,24)5/h18-19,21-27,31H,7-17H2,1-6H3/t19-,21?,22?,23-,24?,25?,26?,27?,28-,29+/m1/s1
InChIKey HFJDAIVNDINPBV-JDCJCBGJSA-N
Molecular Weight 446.716 g/mol
Nominal Mass 446 u
Number of Peaks 297
SMILES OC1C(CC2CCC3C4CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]4(C)CCC3[C@]2(C1)C)[H])OC(C)=O
SPLASH splash10-0a5l-9732000000-f3541cdd6fff5730ee01
Source File Reference LMCM-56605-506Y
Synonyms (2S,14R,15R)-4-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate
Wiley ID 8_7710