2-[(6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-3-oxidanyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

SpectraBase Compound ID	CCa1QJni17D
InChI	InChI=1S/C44H68O5/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-30-44(9,47)31-29-39-38(8)40(45)42(48-10)43(49-11)41(39)46/h18,20,22,24,26,28,47H,12-17,19,21,23,25,27,29-31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+
InChIKey	PLNVEKPYRYVQJV-UCDCYZMMSA-N Google Search
Mol Weight	677.0 g/mol
Molecular Formula	C44H68O5
Exact Mass	676.506675 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7Q55oIUNKXF
Name	2-[(6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-3-oxidanyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
CAS Registry Number	19721-60-9
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H68O5
InChI	InChI=1S/C44H68O5/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-30-44(9,47)31-29-39-38(8)40(45)42(48-10)43(49-11)41(39)46/h18,20,22,24,26,28,47H,12-17,19,21,23,25,27,29-31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+
InChIKey	PLNVEKPYRYVQJV-UCDCYZMMSA-N
Molecular Weight	677.023 g/mol
SMILES	OC(CCC=1C(C(=C(OC)C(C1C)=O)OC)=O)(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CC\C=C/(C)CCC=C(C)C
SPLASH	splash10-00ea-9600000000-b23c18b5d4d5dffe24ff
Source of Spectrum	T-68-5952-0
Synonyms	2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone 2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyl-octacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methyl-p-benzoquinone 2-[(6E,10E,14E,18E,22E)-3-hydroxy-3,7,11,15,19,23,27-heptamethyloctacosa-6,10,14,18,22,26-hexaenyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Wiley ID	66095