GHS
GHS Classification Search
9,19-Cyclolanostan-28-oic acid, 24-[(I(2)-D-glucopyranosyloxy)methyl]-1,3,16,24-tetrahydroxy-, I(2)-D-glucopyranosyl ester, (1I+/-,3I(2),4I+/-,16I+/-)-
CAS Number: 239794-23-1
IUPAC name: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,3S,4S,6S,7S,8R,11S,12S,14R,15R,16R)-4,6,14-trihydroxy-15-[(2R)-5-hydroxy-6-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
Molecular formula: C43H72O17
Molecular weight: 861.0
InChI: InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3/t20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39+,40+,41+,42?,43-/m1/s1
InChIKey: JRBZRACFBGYSHE-XSZNTUEKSA-N
SMILES: C[C@H](CCC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C(C)C)O)[C@H]2[C@@H](C[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)[C@H](C[C@@H]([C@@]6(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)C)O
EINECS: -
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