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24-.alpha.-Methylcholestanyl acetate
SpectraBase Compound ID K0EQOLp2GzM
InChI InChI=1S/C30H52O2/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/h19-21,23-28H,8-18H2,1-7H3/t20-,21-,23+,24+,25?,26-,27?,28?,29+,30-/m1/s1
InChIKey CVXQLNHSKSSFSQ-FJBFGPBMSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dsoxyw447ZK
Name 24-.alpha.-Methylcholestanyl acetate
Alternate Name(s) (3beta,5alpha,24R)-ergostan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/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/h19-21,23-28H,8-18H2,1-7H3/t20-,21-,23+,24+,25?,26-,27?,28?,29+,30-/m1/s1
InChIKey CVXQLNHSKSSFSQ-FJBFGPBMSA-N
Molecular Weight 444.744 g/mol
SMILES [C@@]12(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC[C@@]1([C@@](CC[C@](C(C)C)(C)[H])(C)[H])[H])C
SPLASH splash10-014i-0094200000-7fbc8806f43c7fb1c690
Source of Spectrum QB-22-1299-5
Wiley ID 860734