Diadinoxanthin

CAS Registry Number®

18457-54-0
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CAS Name

Diadinoxanthin

Molecular Formula

C40H54O3

Molecular Mass

582.85

Cite this Page

Diadinoxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=18457-54-0 (retrieved 2024-04-19) (CAS RN: 18457-54-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=OGHZCSINIMWCSB-GHIQLMQGSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C#CC=1C(C)(C)C[C@H](O)CC1C)\C)\C)/C)/C)\[C@]23[C@](C)(O2)C[C@@H](O)CC3(C)C

Canonical SMILES

OC1CC(=C(C#CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC23OC3(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C

Other Names for this Substance

  • β,β-Carotene-3,3′-diol, 7′,8′-didehydro-5,6-epoxy-5,6-dihydro-, (3S,3′R,5R,6S)-
  • β-Carotene-3,3′-diol, 7′,8′-didehydro-5,6-epoxy-5,6-dihydro-, all-trans-
  • 7-Oxabicyclo[4.1.0]heptane, β,β-carotene-3,3′-diol deriv.
  • (3S,3′R,5R,6S)-7′,8′-Didehydro-5,6-epoxy-5,6-dihydro-β,β-carotene-3,3′-diol
  • Diadinoxanthin

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Deleted or Replaced CAS Registry Numbers

11003-58-0, 33082-16-5

CAS INSIGHTSTM
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