蔗糖苯甲酸酯

InChI key

AKIVKIDZMLQJCH-KWOGCLBWSA-N

InChI

1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56+,57-,58+,67-,68+/m1/s1

SMILES string

O=C(OC[C@H]1O[C@H](O[C@]3(COC(=O)c2ccccc2)O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c5ccccc5)[C@@H]3OC(=O)c6ccccc6)[C@H](OC(=O)c7ccccc7)[C@@H](OC(=O)c8ccccc8)[C@@H]1OC(=O)c9ccccc9)c%10ccccc%10

form

solid

optical activity

[α]23/D +35°, c = 1 in chloroform

mp

93-100 °C (lit.)

transition temp

softening point 98 °C (ring and ball)

solubility

aromatics, ketones and esters: soluble, water, alcohols and aliphatics: insoluble

Quality Level

100