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Substance Name: Diatoxanthin
RN: 31063-73-7
UNII: 3VOI529I46
InChIKey: HNYJHQMUSVNWPV-DRCJTWAYSA-N

Molecular Formula

  • C40-H54-O2

Molecular Weight

  • 566.865
 
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Names and Synonyms

Name of Substance

  • Diatoxanthin

Synonyms

  • 7,8-Didehydro-beta,beta-carotene-3R,3'R-diol
  • all-trans-Diatoxanthin
  • UNII-3VOI529I46

Systematic Name

  • beta,beta-Carotene-3,3'-diol, 7,8-didehydro-, (3R,3'R)-

Registry Numbers

CAS Registry Number

  • 31063-73-7

FDA UNII

  • 3VOI529I46

System Generated Number

  • 0031063737

Structure Descriptors

InChI

1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

InChIKey

HNYJHQMUSVNWPV-DRCJTWAYSA-N

Smiles

C1(C#C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C2=C(C[C@H](CC2(C)C)O)C)C)C)C)=C(C[C@H](CC1(C)C)O)C