2,5-Cyclohexadiene-1,4-dione, 2,2′-methylenebis[3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-

CAS Registry Number®

21682-47-3

CAS Name

2,5-Cyclohexadiene-1,4-dione, 2,2′-methylenebis[3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-

Molecular Formula

C53H72O8

Molecular Mass

837.13

Cite this Page

2,5-Cyclohexadiene-1,4-dione, 2,2′-methylenebis[3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21682-47-3 (retrieved 2024-11-24) (CAS RN: 21682-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+

InChIKey

InChIKey=LJHHBOPEDAEYGJ-JULFZRGUSA-N

SMILES

C(C=1C(=O)C(O)=C(C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)C(=O)C1O)C=2C(=O)C(O)=C(C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)C(=O)C2O

Canonical SMILES

O=C1C(O)=C(C(=O)C(O)=C1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CC=2C(=O)C(O)=C(C(=O)C2O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

Other Names for this Substance

  • 2,5-Cyclohexadiene-1,4-dione, 2,2′-methylenebis[3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-
  • p-Benzoquinone, 2,2′-methylenebis[3,6-dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (all-E)-
  • 2,5-Cyclohexadiene-1,4-dione, 2,2′-methylenebis[3,6-dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (all-E)-
  • Amitenone

CAS INSIGHTSTM
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