trans-Neoxanthin

CAS Registry Number®

30743-41-0

CAS Name

trans-Neoxanthin

Molecular Formula

C40H56O4

Molecular Mass

600.87

Cite this Page

trans-Neoxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30743-41-0 (retrieved 2024-11-22) (CAS RN: 30743-41-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200 °C

Source(s)

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-MTYISEJWSA-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, 6,7-didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3,3′,5-trihydroxy-, (3S,3′S,5R,5′R,6R,6′S)-
  • Trollixanthin
  • 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)-6,7-Didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-3,3′,5-trihydroxy-β,β-carotene
  • Neoxanthin X

View All

Deleted or Replaced CAS Registry Numbers

546-52-1, 25666-02-8