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1-[3',11'-Dimethyl-7'-(hydroxycarbonyl)dodeca-2',6',10'-trienyl]-3-[3"-methyl-4''-(hydroxycarbonyl)but-3"-en-1"-yl]-2,2-dimethyl-4-methylenecyclohexane

View entire compound with spectra: 1 MS (GC)

1-[3',11'-Dimethyl-7'-(hydroxycarbonyl)dodeca-2',6',10'-trienyl]-3-[3"-methyl-4''-(hydroxycarbonyl)but-3"-en-1"-yl]-2,2-dimethyl-4-methylenecyclohexane
SpectraBase Compound ID DBXG5XcOV9t
InChI InChI=1S/C30H46O4/c1-21(2)10-8-12-25(29(33)34)13-9-11-22(3)14-17-26-18-16-24(5)27(30(26,6)7)19-15-23(4)20-28(31)32/h10,13-14,20,26-27H,5,8-9,11-12,15-19H2,1-4,6-7H3,(H,31,32)(H,33,34)/b22-14+,23-20-,25-13-/t26-,27+/m0/s1
InChIKey NMZFMIKOZHNSQU-OTKFHVGVSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H46O4
Exact Mass 470.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vI6UuxUjLl
Name 1-[3',11'-Dimethyl-7'-(hydroxycarbonyl)dodeca-2',6',10'-trienyl]-3-[3"-methyl-4''-(hydroxycarbonyl)but-3"-en-1"-yl]-2,2-dimethyl-4-methylenecyclohexane
Alternate Name(s) Mispyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O4
InChI InChI=1S/C30H46O4/c1-21(2)10-8-12-25(29(33)34)13-9-11-22(3)14-17-26-18-16-24(5)27(30(26,6)7)19-15-23(4)20-28(31)32/h10,13-14,20,26-27H,5,8-9,11-12,15-19H2,1-4,6-7H3,(H,31,32)(H,33,34)/b22-14+,23-20-,25-13-/t26-,27+/m0/s1
InChIKey NMZFMIKOZHNSQU-OTKFHVGVSA-N
Molecular Weight 470.694 g/mol
SMILES OC(\C(=C/CC\C(=C\C[C@@]1(C([C@](CC\C(=C/C(=O)O)C)(C(CC1)=C)[H])(C)C)[H])C)CCC=C(C)C)=O
SPLASH splash10-0536-9531100000-d9f0fa2fe8559799fbec
Source of Spectrum C-121-6123-1
Wiley ID 1700176