CAS: 55750-84-0 - Crocin 2
Formula:C38H54O19
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
InChI key:InChIKey=CZSBHMFVVLYIQQ-DRVLGOCHSA-N
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
- Synonyms:
- (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (non-preferred name)
- 1-[(2E,4E,6E,8E,10E,12E,14E)-B-D-Glucopyranosyl 2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-Hexadecaheptaenedioate] 6-O-B-D-Glucopyranosyl-B-D-Glucopyranose
- 8,8′-Diapo-ψ,ψ-carotenedioic acid, β-<span class="text-smallcaps">D</smallcap>-glucopyranosyl 6-O-β-<smallcap>D</smallcap>-glucopyranosyl-β-<smallcap>D</span>-glucopyranosyl ester
- Crocetin gentiobiosylglucosyl ester
- Crocin 2
- Crocin 3
- Crocin B
- Crocin II
- Trans-Crocin 3
- Trans-crocin-2
- See more synonyms
- Tricrocin
- all-trans-Crocetin β-<span class="text-smallcaps">D</smallcap>-gentiobiosyl-β-<smallcap>D</span>-glucosyl ester
- trans-3-Gg-crocin
- trans-Crocetin (β-<span class="text-smallcaps">D</smallcap>-gentiobiosyl) (β-<smallcap>D</span>-glucosyl) ester
- trans-Crocetin (β-<span class="text-smallcaps">D</smallcap>-glucosyl)-(β-<smallcap>D</span>-gentiobiosyl) ester
- β-<span class="text-smallcaps">D</smallcap>-Glucopyranose, 6-O-β-<smallcap>D</smallcap>-glucopyranosyl-, 1-[β-<smallcap>D</span>-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
- 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]
- all-trans-Crocetin β-D-gentiobiosyl-β-D-glucosyl ester