violaxanthin

Molecular Formula: C₄₀H₅₆O₄

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

InChIKey: InChIKey=SZCBXWMUOPQSOX-WVJDLNGLBH
SMILES: CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)\C=C\C=C(C)\C=C\[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C

CAS number 126-29-4

Names:
    all-trans-Violaxanthin
    all-trans-violaxanthin
    Violaxanthin
    violaxanthin
    (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol
    (3S,3'S,5R,5'R,6S,6'S)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-β,β-carotene-3,3'-diol
    (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL

Registries:
    PubChem CID 448438
    Beilstein =101269
    CAS 126-29-4 (from NIST)
    ChEBI 35288
    chemPDB XAT
    COMe MOL000096
    Kegg C08614
    PubChem ID 10300215
    PubChem ID 10807