CAS Registry Number®
55750-84-0
CAS Name
Crocin 2
Molecular Formula
C38H54O19
Molecular Mass
814.82
Other Names and Identifiers
InChI
InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1
InChIKey
InChIKey=CZSBHMFVVLYIQQ-DRVLGOCHSA-N
SMILES
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O[C@@H](OC(/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=O)\C)\C)/C)/C)=O)[C@H](O)[C@@H](O)[C@@H]2O
Canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C)C)C)C
Other Names for this Substance
- β-D-Glucopyranose, 6-O-β-D-glucopyranosyl-, 1-[β-D-glucopyranosyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate]
- 8,8′-Diapo-ψ,ψ-carotenedioic acid, β-D-glucopyranosyl 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester
- Crocin 2
- all–trans-Crocetin β-D-gentiobiosyl-β-D-glucosyl ester
- Crocetin gentiobiosylglucosyl ester
- Crocin 3
- Tricrocin
- Crocin B
- trans-Crocetin (β-D-glucosyl)-(β-D-gentiobiosyl) ester
- Crocin II
- trans-Crocin 2
- trans-Crocetin (β-D-gentiobiosyl) (β-D-glucosyl) ester
- Trans-crocin-2
- trans-3-Gg-crocin
- Trans-Crocin 3
Deleted or Replaced CAS Registry Numbers
1160167-04-3, 2082718-29-2
