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Substance Name: Flavoxanthin
RN: 512-29-8
UNII: S1D2WO17XX
InChIKey: JRHJXXLCNATYLS-NGZWBNMCSA-N

Molecular Formula

  • C40-H56-O3

Molecular Weight

  • 584.8794
 
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Names and Synonyms

Name of Substance

  • Flavoxanthin

Synonyms

  • (3S,3'R,5R,6'R,8R)-5,8-Epoxy-5,8-dihydro-beta,epsilon-carotene-3,3'-diol
  • UNII-S1D2WO17XX

Systematic Name

  • beta,epsilon-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8R)-

Registry Numbers

CAS Registry Number

  • 512-29-8

FDA UNII

  • S1D2WO17XX

System Generated Number

  • 0000512298

Structure Descriptors

InChI

1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1

InChIKey

JRHJXXLCNATYLS-NGZWBNMCSA-N

Smiles

CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/[C@H]2C=C3[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C)(C)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 184 deg C   EXP
log P (octanol-water) 13.22 (none)   EST
Atmospheric OH Rate Constant 6.98E-10 cm3/molecule-sec 25 EST

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