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42553-65-1 Crocin I

product Name Crocin I
CAS No 42553-65-1
Synonyms Crocin (gardenia fruit; Saffron; crocin; bis[(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); 6-O-β-D-glucopyranosyl-1-O-[(2E,4E,6E,8E,10Z,12E,14Z)-16-{[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]methyl}-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenoyl]-β-D-glucopyranose; saffron (natural)
Molecular Formula C46H68O23
Molecular Weight 989.0183
InChI InChI=1/C46H68O23/c1-21(12-8-14-23(3)25(5)18-62-43-40(59)36(55)32(51)28(67-43)19-63-44-38(57)34(53)30(49)26(16-47)65-44)10-6-7-11-22(2)13-9-15-24(4)42(61)69-46-41(60)37(56)33(52)29(68-46)20-64-45-39(58)35(54)31(50)27(17-48)66-45/h6-15,26-41,43-60H,5,16-20H2,1-4H3/b7-6+,12-8+,13-9+,21-10-,22-11+,23-14-,24-15+/t26-,27-,28-,29-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,43-,44-,45-,46+/m1/s1
EINECS 255-881-6
Molecular Structure 42553-65-1 Crocin I
Density 1.48g/cm3
Boiling point 1174.7°C at 760 mmHg
Refractive index 1.641
Flash point 336.4°C
Vapour Pressur 0mmHg at 25°C
Hazard Symbols
Risk Codes
Safety Description