GHS
GHS Classification Search
Octadecanoic acid, 17-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-, intramol. 1,4a(2)a(2)-ester
CAS Number: 117824-06-3
IUPAC name: (1S,3R,4S,5S,6R,8R,28S,29R,31R,32R)-4,5,31,32-tetrahydroxy-6,29-bis(hydroxymethyl)-10-methyl-2,7,9,27,30-pentaoxatricyclo[26.2.2.03,8]dotriacontan-26-one
Molecular formula: C30H54O12
Molecular weight: 606.7
InChI: InChI=1S/C30H54O12/c1-19-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(33)41-27-21(18-32)40-29(26(37)25(27)36)42-28-24(35)23(34)20(17-31)39-30(28)38-19/h19-21,23-32,34-37H,2-18H2,1H3/t19?,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-/m1/s1
InChIKey: RQDHXXVPVYVRDB-MQXFMOKTSA-N
SMILES: CC1CCCCCCCCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O1)CO)O)O)CO
EINECS: -
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