3,4-Didehydroretinol | CAS No. 79-80-1

3,4-Didehydroretinol

Basic Information

CAS Number

79-80-1

Molecular Formula

C20H28O

Molecular Weight

284.44 g/mol

AD

Basic Physical Properties

Melting Point

63-650C

CC1=C(C(CC=C1)(C)C)C=CC(=CC=CC(=CCO)C)C

InChI

InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

InChIKey

XWCYDHJOKKGVHC-OVSJKPMPSA-N

LogP

5.286300000000005

Topological Polar Surface Area

20.23 Ų

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

534

Synonyms & References

English

  • 104621892X
  • 3,4-didehydro-retinol
  • DEHYDRORETINOL. 3-
  • all-trans-3-Dehydroretinol
  • RETINOL2
  • LMPR01090008
  • EINECS 201-226-4
  • C21797
  • Dehydroretinol
  • (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol
  • UNII-104621892X
  • Q24390934
  • 3-Dehydoretinol
  • CHEMBL1797132
  • 3-DEHYDRORETINOL [MI]
  • 3-dehydroretinol
  • DTXSID401018959
  • All-Trans-3,4-Didehydro Retinol
  • SCHEMBL15904
  • 3,4-didehydroretinol
  • Vitamin A2
  • 3,4-Dehydroretinol;all-trans- 3-Dehydroretinol
  • 3-Dehydro Retinol
  • 3-DEHYDRORETINOL [WHO-DD]
  • all-trans-3,4-Didehydroretinol
  • (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraen-1-ol
  • CHEBI:132246
  • 79-80-1
  • 3,4-Didehydro-all-trans-retinol
  • VA2
  • Retinol, 3,4-didehydro-

MDL Number

MFCD00870184

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