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24-Methylcholesteryl acetate
SpectraBase Compound ID 8jOuQ1cEgZC
InChI InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19-21,24-28H,8-9,11-18H2,1-7H3/t20-,21-,24+,25?,26-,27?,28?,29+,30-/m1/s1
InChIKey JOBAYBRAHVTSSW-DVAHEXTJSA-N
Mol Weight 442.7 g/mol
Molecular Formula C30H50O2
Exact Mass 442.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VKy3bB7jCM
Name 24-Methylcholesteryl acetate
Alternate Name(s) 24-.alpha.-Methylcholesteryl acetate (3beta,24R)-ergost-5-en-3-yl acetate
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Formula C30H50O2
InChI InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19-21,24-28H,8-9,11-18H2,1-7H3/t20-,21-,24+,25?,26-,27?,28?,29+,30-/m1/s1
InChIKey JOBAYBRAHVTSSW-DVAHEXTJSA-N
Molecular Weight 442.728 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC[C@@]1([C@@](CC[C@](C(C)C)(C)[H])(C)[H])[H])C
SPLASH splash10-001i-0039000000-4bf593a6e830a58c2528
Source of Spectrum QB-22-1299-3
Wiley ID 860735