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Hop-22(29)-ene

View entire compound with spectra: 7 NMR, and 1 MS (GC)

Hop-22(29)-ene
SpectraBase Compound ID IBPFXwSfkI4
InChI InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey HHXYJYBYNZMZKX-PYQRSULMSA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 683xTuUK1tf
Name Hop-22(29)-ene
Alternate Name(s) Hopene (3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKey HHXYJYBYNZMZKX-PYQRSULMSA-N
Literature Reference DOI 10.1002/cbic.201300018
Molecular Weight 410.730 g/mol
SMILES CC1(C)CCC[C@@]2([C@@]3([C@@](CC[C@@]12[H])([C@@]1(CC[C@@]2([C@@]([C@]1(CC3)[H])(CC[C@@]2(C(C)=C)[H])C)[H])C)C)[H])C
SPLASH splash10-03du-3911300000-92b017f872381f67afdc
Source of Spectrum CBC-14-436/SM5-1a
Wiley ID 1786805