Diatoxanthin

CAS Registry Number®

31063-73-7
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CAS Name

Diatoxanthin

Molecular Formula

C40H54O2

Molecular Mass

566.86

Cite this Page

Diatoxanthin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=31063-73-7 (retrieved 2024-04-20) (CAS RN: 31063-73-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H54O2/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/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

InChIKey

InChIKey=HNYJHQMUSVNWPV-DRCJTWAYSA-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, 7,8-didehydro-, (3R,3′R)-
  • β-Carotene-3,3′-diol, 7,8-didehydro-, (3R,3′R)-all-trans-
  • (3R,3′R)-7,8-Didehydro-β,β-carotene-3,3′-diol
  • Diatoxanthin
  • Diatoxanthin, all-trans-

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Deleted or Replaced CAS Registry Numbers

18524-95-3, 27405-34-1

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