Capsorubin

CAS Registry Number®

470-38-2
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CAS Name

Capsorubin

Molecular Formula

C40H56O4

Molecular Mass

600.87

Cite this Page

Capsorubin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=470-38-2 (retrieved 2024-04-26) (CAS RN: 470-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1

InChIKey

InChIKey=GVOIABOMXKDDGU-YUURSNASSA-N

SMILES

C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)\C)\C)/C)/C)(=O)[C@]2(C)C[C@@H](O)CC2(C)C

Canonical SMILES

O=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC(=O)C1(C)CC(O)CC1(C)C)C)C)C)C)C2(C)CC(O)CC2(C)C

Other Names for this Substance

  • κ,κ-Carotene-6,6′-dione, 3,3′-dihydroxy-, (3S,3′S,5R,5′R)-
  • 2,4,6,8,10,12,14,16,18-Eicosanonaene-1,20-dione, 1,20-bis(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-, (1R,1R,4S,4S)-(all-E)-
  • (3S,3′S,5R,5′R)-3,3′-Dihydroxy-κ,κ-carotene-6,6′-dione
  • Capsorubin
  • Capsorubin, all-trans-

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Deleted or Replaced CAS Registry Numbers

22151-47-9, 28368-02-7

CAS INSIGHTSTM
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