Adonixanthin

CAS Registry Number®

4418-73-9
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CAS Name

Adonixanthin

Molecular Formula

C40H54O3

Molecular Mass

582.85

Cite this Page

Adonixanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4418-73-9 (retrieved 2024-05-17) (CAS RN: 4418-73-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YECXHLPYMXGEBI-ZNQVSPAOSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)C[C@H](O)CC1C)\C)\C)/C)/C)\C=2C(C)(C)C[C@H](O)C(=O)C2C

Canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)CC1O)C

Other Names for this Substance

  • β,β-Caroten-4-one, 3,3′-dihydroxy-, (3S,3′R)-
  • β-Caroten-4-one, 3,3′-dihydroxy-
  • Adonixanthin
  • (3S,3′R)-3,3′-Dihydroxy-β,β-caroten-4-one
  • 3,3′-Dihydroxyechinenone

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Deleted or Replaced CAS Registry Numbers

15648-87-0, 40522-47-2, 80225-08-7

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