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Substance Name: Capsorubin
RN: 470-38-2
UNII: 805VAB3L0H
InChIKey: GVOIABOMXKDDGU-YUURSNASSA-N

Note

  • A carotenoid with cyclopentane rings instead of cyclohexenes.

Molecular Formula

  • C40-H56-O4

Molecular Weight

  • 600.8784
 
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Names and Synonyms

Name of Substance

  • Capsorubin

Synonyms

  • EINECS 207-425-2
  • UNII-805VAB3L0H

Systematic Name

  • (3S,3'S,5R,5'R)-3,3'-Dihydroxy-kappa,kappa-carotene-6,6'-dione

Registry Numbers

CAS Registry Number

  • 470-38-2

FDA UNII

  • 805VAB3L0H

System Generated Number

  • 0000470382

Structure Descriptors

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

GVOIABOMXKDDGU-YUURSNASSA-N

Smiles

C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[C@]1(C(C[C@@H](C1)O)(C)C)C)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]2(C(C[C@@H](C2)O)(C)C)C)\C