bixin

[a monomethyl ester of a 24-carbon branched unsaturated dicarboxylic acid; a carotenoid (a carotene-dioic acid); the orange-red colouring matter from seeds of Bixa orellana; the ethyl ester is used as a food and drug colourant. See: annotto.

[1. A monomethyl ester of a 24-carbon branched unsaturated dicarboxylic acid; a carotenoid (a carotene-dioic acid); the orange-red coloring matter from seeds of Bixa orellana; the ethyl ester is used as a food and drug colorant.

Molecular Formula: C₂₅H₃₀O₄

InChI: InChI=1/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-/f/h26H

InChIKey: InChIKey=RAFGELQLHMBRHD-DXVINZSRDR
SMILES: COC(=O)\C=C\C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(O)=O

CAS number 6983-79-5

Names:
    Bixin
    bixin
    C08582
    Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate
    Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate
    (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxo-icosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
    6'-methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioate
    6983-79-5

Registries:
    PubChem CID 5281226
    Beilstein =1729919
    CAS 6983-79-5 (from NIST)
    ChEBI 3136
    Kegg C08582
    PubChem ID 10775