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AARUWLXSIZJQDK-XXWDTJAXSA-N

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AARUWLXSIZJQDK-XXWDTJAXSA-N
SpectraBase Compound ID HGSE4Aua846
InChI InChI=1S/C30H52O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,27,29,31H,9-12,14,16,18-22H2,1-8H3/b25-15+,26-17+/t27-,29+,30+/m0/s1
InChIKey AARUWLXSIZJQDK-XXWDTJAXSA-N
Mol Weight 428.7 g/mol
Molecular Formula C30H52O
Exact Mass 428.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sYeZd3aGSC
Name (2S,3R,4S)-1-Isopropylidene-2-(3"-hydroxypropyl)-3-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-3,4-dimethylcyclohexane
Alternate Name(s) 1-Isopropylidene-2-(2''-hydroxyethyl)-3-[4',8',12'-trimethyltrideca-3',7',11'-trienyl]-3,4-dimethylcyclohexane 3-{(1S,2R,3S)-2,3-dimethyl-6-(1-methylethylidene)-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]cyclohexyl}-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O
InChI InChI=1S/C30H52O/c1-23(2)13-9-14-25(5)15-10-16-26(6)17-11-21-30(8)27(7)19-20-28(24(3)4)29(30)18-12-22-31/h13,15,17,27,29,31H,9-12,14,16,18-22H2,1-8H3/b25-15+,26-17+/t27-,29+,30+/m0/s1
InChIKey AARUWLXSIZJQDK-XXWDTJAXSA-N
Molecular Weight 428.745 g/mol
SMILES OCCC[C@@]1(C(CC[C@@]([C@]1(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(C)[H])=C(C)C)[H]
SPLASH splash10-015a-9200000000-e51d9a208692371e0a27
Source of Spectrum X2-58-322-14
Wiley ID 1605874