Alloxanthin

CAS Registry Number®

28380-31-6
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CAS Name

Alloxanthin

Molecular Formula

C40H52O2

Molecular Mass

564.84

Cite this Page

Alloxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28380-31-6 (retrieved 2024-05-18) (CAS RN: 28380-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-190 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

InChIKey

InChIKey=DVICWXUADSCSLL-DDEWRDOISA-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=2C(C)(C)C[C@H](O)CC2C

Canonical SMILES

OC1CC(=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)C1)C

Other Names for this Substance

  • β,β-Carotene-3,3′-diol, 7,7′,8,8′-tetradehydro-, (3R,3′R)-
  • β-Carotene-3,3′-diol, 7,7′,8,8′-tetradehydro-, (3R,3′R)-all-trans-
  • (3R,3′R)-7,7′,8,8′-Tetradehydro-β,β-carotene-3,3′-diol
  • Alloxanthin
  • all-trans-Alloxanthin

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Deleted or Replaced CAS Registry Numbers

24659-91-4, 33620-28-9

CAS INSIGHTSTM
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