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Substance Name: Azafrin
RN: 507-61-9
UNII: KTC84VDE1O
InChIKey: NYWCITDWPAZNBU-DYISAODMSA-N

Note

  • Constituent of Centranthera grandiflora.

Molecular Formula

  • C27-H38-O4

Molecular Weight

  • 426.5932
 
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Names and Synonyms

Name of Substance

  • Azafrin

Synonyms

  • 5,6-Dihydro,5,6-dihydroxy-10'-apo-beta,psi-carotenoic acid
  • UNII-KTC84VDE1O

Systematic Name

  • 10'-Apo-beta,psi-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, (5R,6R)-

Registry Numbers

CAS Registry Number

  • 507-61-9

FDA UNII

  • KTC84VDE1O

System Generated Number

  • 0000507619

Structure Descriptors

InChI

1S/C27H38O4/c1-21(11-7-8-12-22(2)15-16-24(28)29)13-9-14-23(3)17-20-27(31)25(4,5)18-10-19-26(27,6)30/h7-9,11-17,20,30-31H,10,18-19H2,1-6H3,(H,28,29)/b8-7+,13-9+,16-15+,20-17+,21-11+,22-12+,23-14+/t26-,27-/m1/s1

InChIKey

NYWCITDWPAZNBU-DYISAODMSA-N

Smiles

C\C(=C/C=C/C=C(\C)/C=C/C(=O)O)\C=C\C=C(/C)\C=C\[C@@]1(O)C(C)(C)CCC[C@@]1(C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213 deg C   EXP
log P (octanol-water) 8.060 (none)   EST
Atmospheric OH Rate Constant 4.62E-10 cm3/molecule-sec 25 EST

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