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Substance Name: 5-Demethoxyubiquinone-9
RN: 7200-28-4
InChIKey: XLPIHYMHOSPCOZ-IQSNHBBHSA-N

Note

  • Intermediate in biosynthesis of ubiquinone.

Molecular Formula

  • C53-H80-O3

Molecular Weight

  • 765.212
 
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Names and Synonyms

Name of Substance

  • 5-Demethoxyubiquinone-9

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 5-methoxy-2-methyl-3-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-

Registry Numbers

CAS Registry Number

  • 7200-28-4

System Generated Number

  • 0007200284

Structure Descriptors

InChI

1S/C53H80O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+

InChIKey

XLPIHYMHOSPCOZ-IQSNHBBHSA-N

Smiles

CC1=C(C(=O)C(=CC1=O)OC)C/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)/CCC=C(C)C