Dinoxanthin

CAS Registry Number®

54369-12-9
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CAS Name

Dinoxanthin

Molecular Formula

C42H58O5

Molecular Mass

642.91

Cite this Page

Dinoxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54369-12-9 (retrieved 2024-03-28) (CAS RN: 54369-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H58O5/c1-30(18-14-20-32(3)22-23-37-38(6,7)28-36(46-34(5)43)29-40(37,10)45)16-12-13-17-31(2)19-15-21-33(4)24-25-42-39(8,9)26-35(44)27-41(42,11)47-42/h12-22,24-25,35-36,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,25-24+,30-16+,31-17+,32-20+,33-21+/t23-,35+,36+,40-,41-,42+/m1/s1

InChIKey

InChIKey=PVNVIBOWBAPFOE-AJSXGTQYSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=[C@]=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O)\C)\C)/C)/C)\[C@]23[C@](C)(O2)C[C@@H](O)CC3(C)C

Canonical SMILES

O=C(OC1CC(O)(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)C

Other Names for this Substance

  • β,β-Carotene-3,3′,5(6H)-triol, 6,7-didehydro-5′,6′-epoxy-5′,6′-dihydro-, 3-acetate, (3S,3′S,5R,5′R,6S,6′S)-
  • β,β-Carotene, 3-(acetyloxy)-6,7-didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3′,5-dihydroxy-, (3S,3′S,5R,5′R,6S,6′S)-
  • Dinoxanthin

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