β,ε-Carotene-3,3′,6′-triol, 5′,18′-didehydro-4′,5′-dihydro-, (3R,3′S,6′S)-

CAS Registry Number®

334490-57-2
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CAS Name

β,ε-Carotene-3,3′,6′-triol, 5′,18′-didehydro-4′,5′-dihydro-, (3R,3′S,6′S)-

Molecular Formula

C40H56O3

Molecular Mass

584.87

Cite this Page

β,ε-Carotene-3,3′,6′-triol, 5′,18′-didehydro-4′,5′-dihydro-, (3R,3′S,6′S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=334490-57-2 (retrieved 2024-09-19) (CAS RN: 334490-57-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-24,35-36,41-43H,6,25-28H2,1-5,7-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40-/m1/s1

InChIKey

InChIKey=DARXCJZXRPHHRN-SUXHJEBNSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=1C(C)(C)C[C@H](O)CC1C)\C)\C)/C)/C)\[C@]2(O)C(C)(C)C[C@H](O)CC2=C

Canonical SMILES

OC1CC(=C)C(O)(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

Other Names for this Substance

  • β,ε-Carotene-3,3′,6′-triol, 5′,18′-didehydro-4′,5′-dihydro-, (3R,3′S,6′S)-
  • Prenigroxanthin