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(2'E,7'Z,1''-ALPHA,4A''-BETA,8A''-ALPHA)-2-[3',7'-DIMETHYL-9'-(2'',5'',5'',8A''-TETRAMETHYL-1'',4'',4A'',5'',6'',7'',8'',8A''-OCTAHYDRONAPHTHALEN-1''-YL)-

View entire compound with spectra: 3 NMR, and 1 MS (GC)

(2'E,7'Z,1''-ALPHA,4A''-BETA,8A''-ALPHA)-2-[3',7'-DIMETHYL-9'-(2'',5'',5'',8A''-TETRAMETHYL-1'',4'',4A'',5'',6'',7'',8'',8A''-OCTAHYDRONAPHTHALEN-1''-YL)-
SpectraBase Compound ID 1LPxrsB2m1d
InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12-/t27-,29-,31+/m0/s1
InChIKey FBBXOWQBMFRXRO-MEVHTVKHSA-N
Mol Weight 450.7 g/mol
Molecular Formula C31H46O2
Exact Mass 450.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cpJUhmGgoR
Name 2-[(2E,7Z)-9-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3,7-dimethyl-nona-2,7-dienyl]benzene-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O2
InChI InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12-/t27-,29-,31+/m0/s1
InChIKey FBBXOWQBMFRXRO-MEVHTVKHSA-N
Molecular Weight 450.707 g/mol
SMILES Oc1cc(c(cc1)O)C\C=C\(CCC\C(=C/C[C@@]1([C@@]2([C@@](CC=C1C)(C(C)(C)CCC2)[H])C)[H])C)C
SPLASH splash10-06xx-0900000000-6ef426582598532d4674
Source of Spectrum B-47-191-1
Synonyms 2-[(2E,7Z)-9-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3,7-dimethyl-nona-2,7-dienyl]hydroquinone
Wiley ID 1387870