3-demethylubiquinone-9 (Q27102933)

2-Hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-benzoquinone (English)

retrieved

5 October 2016

chemical formula

C₅₃H₈₀O₄

0 references

canonical SMILES

CC(C)=CCCC(C)=C(CCC(C)=C(CCC(C)=C(CCC(C)=C(CCC(C)=C(CCC(C)=C(CCC(C)=C(CCC(C)=C(CC1=C(C)C(C(=C(C1=O)OC)O)=O)[H])[H])[H])[H])[H])[H])[H])[H]

1 reference

language of work or name

English

title

3-demethylubiquinone-9 (English)

retrieved

5 October 2016

isomeric SMILES

CC(C)=CCC/C(/C)=C(/CC/C(/C)=C(/CC/C(/C)=C(/CC/C(/C)=C(/CC/C(/C)=C(/CC/C(/C)=C(/CC/C(/C)=C(/CC/C(/C)=C(/CC1=C(C)C(C(=C(C1=O)OC)O)=O)\[H])\[H])\[H])\[H])\[H])\[H])\[H])\[H]

1 reference

language of work or name

English

title

3-demethylubiquinone-9 (English)

retrieved

5 October 2016

Identifiers

InChI

InChI=1S/C53H80O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+

1 reference

language of work or name

English

title

3-demethylubiquinone-9 (English)

retrieved

5 October 2016

InChIKey

YFPCPZJYSKOLNK-NSCWJZNLSA-N

2 references

language of work or name

English

title

3-demethylubiquinone-9 (English)

retrieved

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

63681-85-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

language of work or name

English

title

2-Hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-1,4-benzoquinone (English)

5 October 2016

1 reference

26 December 2021

Reaxys registry number