alpha-cryptoxanthin

Molecular Formula: C₄₀H₅₆O

InChI: InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1

InChIKey: InChIKey=NBZANZVJRKXVBH-NHWXEJKLBX
SMILES: CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CCCC2(C)C

CAS number 24480-38-4

Names:
    alpha-Cryptoxanthin
    alpha-cryptoxanthin
    C08590
    (1S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethyl-1-cyclohex-2-enyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
    24480-38-4

Registries:
    PubChem CID 5281234
    Beilstein =2342912
    CAS 24480-38-4 (from NIST)
    ChEBI 10223
    Kegg C08590
    PubChem ID 10783