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Substance Name: Rhodopin
RN: 105-92-0
UNII: 9EYB433RXU
InChIKey: CNYVJTJLUKKCGM-RGGGOQHISA-N

Molecular Formula

  • C40-H58-O

Molecular Weight

  • 554.8972
 
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Names and Synonyms

Name of Substance

  • Rhodopin

Synonyms

  • 1,2-Dihydro-1-hydroxy-psi,psi-Carotene
  • 1,2-Dihydro-psi,psi-caroten-1-ol
  • UNII-9EYB433RXU

Systematic Name

  • psi,psi-Carotene, 1,2-dihydro-1-hydroxy-

Registry Numbers

CAS Registry Number

  • 105-92-0

FDA UNII

  • 9EYB433RXU

System Generated Number

  • 0000105920

Structure Descriptors

InChI

1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

InChIKey

CNYVJTJLUKKCGM-RGGGOQHISA-N

Smiles

CC(=CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)O)\C)\C)\C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 171 deg C   EXP
log P (octanol-water) 16.22 (none)   EST
Atmospheric OH Rate Constant 6.72E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.