Description
IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
InChI: InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1
InChIKey: ZVGODNZUEWDIPM-YXRLTKITSA-N
Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)O
Isomeric SMILES: C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(C)/C(=O)O
Synonyms: beta-D-glucosyl crocetin; 58050-17-2; Crocetin ; A-D-glucopyranoside; crocetin beta-D-glucosyl ester; Crocetin beta-D-glucopyranoside; crocetin beta-D-glucopyranosyl ester; crocetin mono(beta-D-glucosyl) ester; …
Botanical Source: Crocus sativus L.