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Substance Name: Diadinoxanthin
RN: 18457-54-0
InChIKey: OGHZCSINIMWCSB-GHIQLMQGSA-N

Molecular Formula

  • C40-H54-O3

Molecular Weight

  • 582.8636
 
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Names and Synonyms

Name of Substance

  • Diadinoxanthin

Systematic Name

  • beta,beta-Carotene-3,3'-diol, 7',8'-didehydro-5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S)-

Registry Numbers

CAS Registry Number

  • 18457-54-0

System Generated Number

  • 0018457540

Structure Descriptors

InChI

1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1

InChIKey

OGHZCSINIMWCSB-GHIQLMQGSA-N

Smiles

CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C