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3.beta.-hydroxy-4,4-dimethylcholesta-8,24-dien-23-one

View entire compound with spectra: 1 MS (GC)

3.beta.-hydroxy-4,4-dimethylcholesta-8,24-dien-23-one
SpectraBase Compound ID 71gRr9xwDW7
InChI InChI=1S/C29H46O2/c1-18(2)16-20(30)17-19(3)22-9-10-23-21-8-11-25-27(4,5)26(31)13-15-29(25,7)24(21)12-14-28(22,23)6/h16,19,22-23,25-26,31H,8-15,17H2,1-7H3/t19-,22-,23+,25?,26+,28-,29-/m1/s1
InChIKey VQBWBHODKRMFOZ-OXXUGRFVSA-N
Mol Weight 426.7 g/mol
Molecular Formula C29H46O2
Exact Mass 426.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV7mEKbR04V
Name 3.beta.-hydroxy-4,4-dimethylcholesta-8,24-dien-23-one
Alternate Name(s) (3beta)-3-hydroxy-4,4-dimethylcholesta-8,24-dien-23-one
CAS Registry Number 114550-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2
InChI InChI=1S/C29H46O2/c1-18(2)16-20(30)17-19(3)22-9-10-23-21-8-11-25-27(4,5)26(31)13-15-29(25,7)24(21)12-14-28(22,23)6/h16,19,22-23,25-26,31H,8-15,17H2,1-7H3/t19-,22-,23+,25?,26+,28-,29-/m1/s1
InChIKey VQBWBHODKRMFOZ-OXXUGRFVSA-N
Molecular Weight 426.685 g/mol
SMILES O[C@]1(CC[C@@]2(C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CC(C=C(C)C)=O)(C)[H])[H])[H])CCC2C1(C)C)C)[H]
SPLASH splash10-003r-5904100000-54999dbc7dcc6384b68f
Source of Spectrum J-53-5946-2
Wiley ID 1380154