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[4aR-(4a.alpha.,6a.beta.,6b.alpha.8a.beta.,12a.alpha.,12b.beta.,14a.alpha.,14b.alpha.)]- docosahydro-2,2,4a,6a,6b,9,9,12a -octamethyl-picene

View entire compound with spectra: 1 MS (GC)

[4aR-(4a.alpha.,6a.beta.,6b.alpha.8a.beta.,12a.alpha.,12b.beta.,14a.alpha.,14b.alpha.)]- docosahydro-2,2,4a,6a,6b,9,9,12a -octamethyl-picene
SpectraBase Compound ID 1ZnTLJMON34
InChI InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24-,27-,28+,29-,30-/m1/s1
InChIKey VCNKUCWWHVTTBY-UFBHZMJMSA-N
Mol Weight 412.7 g/mol
Molecular Formula C30H52
Exact Mass 412.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VMxlkVnAvO
Name [4aR-(4a.alpha.,6a.beta.,6b.alpha.8a.beta.,12a.alpha.,12b.beta.,14a.alpha.,14b.alpha.)]- docosahydro-2,2,4a,6a,6b,9,9,12a -octamethyl-picene
CAS Registry Number 471-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52
InChI InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24-,27-,28+,29-,30-/m1/s1
InChIKey VCNKUCWWHVTTBY-UFBHZMJMSA-N
Molecular Weight 412.746 g/mol
SMILES [C@@]12([C@]3([C@]([C@]4(CC(C)(C)CC[C@@]4(CC3)C)[H])([H])CC[C@@]1([C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)[H])C)C
SPLASH splash10-0006-0911100000-f2360d592186d643d29d
Source of Spectrum JC-550-203-8
Synonyms (18alpha)-oleanane 18.alpha.(H)-oleanane oleanane (CAS index structure)
Wiley ID 1374898