Neoxanthin

CAS Registry Number®

14660-91-4
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CAS Name

Neoxanthin

Molecular Formula

C40H56O4

Molecular Mass

600.87

Cite this Page

Neoxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14660-91-4 (retrieved 2024-04-23) (CAS RN: 14660-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1

InChIKey

InChIKey=PGYAYSRVSAJXTE-OQASCVKESA-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](O)C[C@@]1(C)O)/C)/C)\C)/C)\[C@]23[C@](C)(O2)C[C@@H](O)CC3(C)C

Canonical SMILES

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

Other Names for this Substance

  • β,β-Carotene-3,3′,5(6H)-triol, 6,7-didehydro-5′,6′-epoxy-5′,6′-dihydro-, (3S,3′S,5R,5′R,6R,6′S,9′-cis)-
  • β-Carotene, 6,7-didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3,3′,5-trihydroxy-, (3S,3′S,5′R,6′S)-
  • β,β-Carotene, 6,7-didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3,3′,5-trihydroxy-, (3S,3′S,5R,5′R,6R,6′S,9′-cis)-
  • Foliaxanthin
  • (3S,3′S,5R,5′R,6R,6′S,9′-cis)-6,7-Didehydro-5′,6′-epoxy-5′,6′-dihydro-β,β-carotene-3,3′,5(6H)-triol

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Deleted or Replaced CAS Registry Numbers

2034-64-2, 23727-42-6, 157966-40-0

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