Capsanthin 5,6-epoxide

CAS Registry Number®

29486-21-3
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CAS Name

Capsanthin 5,6-epoxide

Molecular Formula

C40H56O4

Molecular Mass

600.87

Cite this Page

Capsanthin 5,6-epoxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29486-21-3 (retrieved 2024-09-19) (CAS RN: 29486-21-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QAILMWKAKHIIHL-DRNVWVRCSA-N

SMILES

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)\C23C(C)(O2)C[C@@H](O)CC3(C)C

Canonical SMILES

O=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC12OC2(C)CC(O)CC1(C)C)C)C)C)C)C3(C)CC(O)CC3(C)C

Other Names for this Substance

  • β,κ-Caroten-6′-one, 5,6-epoxy-5,6-dihydro-3,3′-dihydroxy-, (3S,3′S,5′R)-
  • 2,4,6,8,10,12,14,16,18-Nonadecanonaen-1-one, 19-(1,2-epoxy-4-hydroxy-2,6,6-trimethylcyclohexyl)-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-, (all-E)-
  • 7-Oxabicyclo[4.1.0]heptane, β,κ-caroten-6′-one deriv.
  • (3S,3′S,5′R)-5,6-Epoxy-5,6-dihydro-3,3′-dihydroxy-β,κ-caroten-6′-one
  • Capsanthin 5,6-epoxide

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Deleted or Replaced CAS Registry Numbers

22151-44-6, 22164-90-5