CROCIN ,42553-65-1 _Chemical Cloud Database

CROCIN

Basic Information
Product Name：	CROCIN
CAS：	42553-65-1 ;94238-00-3
English Synonyms：	CROCIN ; GARDENIA YELLOW, 98% BY HPLC ; CROCETIN DIGENTIBIOSE ESTER ; CROCETIN DIGENTIOBIOSE ESTER ; Α-CROCIN ; GARDENIA YELLOW ; SAFFRON ; B-D-GLUCOPYRANOSE, 6-O-D-GLUCOPYRANOSYL-, 1,1'-[(ALL-E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE] ; ALPHA-CROCIN ; BETA-D-GLUCOPYRANOSE, 6-O-BETA-D-GLUCOPYRANOSYL-, 1,1'-[(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOATE] ; 8,8'-DIAPO-Y,Y-CAROTENEDIOIC ACID BIS(6-O-BETA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL) ESTER ; CROCETIN DIGENTIOBIOSYL ESTER ; CROCIN I
MDL Number.：	MFCD00017495
H bond acceptor：	24
H bond donor：	14
Smile：	C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(/C)\C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChi：	InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9-,20-10+,21-13-,22-14+/t23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,41-,42-,43+,44+/m1/s1
InChiKey：	InChIKey=SEBIKDIMAPSUBY-AUBKFWJSSA-N
Property
Melting Point：	186℃
Specification：	STANDARD GRADE
Safety information
WGK Germany：	3

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