β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-

CAS Registry Number®

97169-13-6

CAS Name

β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-

Molecular Formula

C40H54O4

Molecular Mass

598.85

Cite this Page

β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97169-13-6 (retrieved 2024-11-22) (CAS RN: 97169-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37+/m0/s1

InChIKey

InChIKey=DNKQGUYVWUAYIE-KRJZFOBGSA-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)C(=O)C1C)\C)\C)/C)/C)\C=2C(C)(C)C[C@H](O)[C@H](O)C2C

Canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)C(O)C(O)CC2(C)C)C)C)C)C)C(C)(C)CC1O)C

Other Names for this Substance

  • β,β-Caroten-4-one, 3,3′,4′-trihydroxy-, (3S,3′S,4′R)-
  • (3S,3′S,4′R)-Idoxanthin

CAS INSIGHTSTM
Targeted protein degrader structure, illustration