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2.beta.,3.beta.-Dihydro-1-benzofuro[2',3':2,3]-5.alpha.-cholest-2-ene isomer
SpectraBase Compound ID GR9fuQ0IRo3
InChI InChI=1S/C33H50O/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-26-24-11-6-7-12-30(24)34-31(26)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25-29,31H,8-10,13-20H2,1-5H3/t22-,23?,25?,26?,27-,28?,29?,31?,32-,33+/m1/s1
InChIKey PGROTSZGINAULN-XHYXSXOSSA-N
Mol Weight 462.8 g/mol
Molecular Formula C33H50O
Exact Mass 462.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XoUQo88Zf7
Name 2.beta.,3.beta.-Dihydro-1-benzofuro[2',3':2,3]-5.alpha.-cholest-2-ene isomer
Alternate Name(s) 2.beta.,3.beta.-Dihydro-1-benzofuro[2',3':2,3]-5.alpha.-cholest- isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H50O
InChI InChI=1S/C33H50O/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-26-24-11-6-7-12-30(24)34-31(26)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25-29,31H,8-10,13-20H2,1-5H3/t22-,23?,25?,26?,27-,28?,29?,31?,32-,33+/m1/s1
InChIKey PGROTSZGINAULN-XHYXSXOSSA-N
Molecular Weight 462.762 g/mol
SMILES [C@@]12(C3C(C4CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])CCC2CC2c3ccccc3OC2C1)C
SPLASH splash10-01ox-8800900000-2023b807a82313d3e7d7
Source of Spectrum KC-0-460-12
Wiley ID 830045