5092-01-3
18-ALPHA-GLYCYRRHETINIC ACID METHYL ESTER
Name18-ALPHA-GLYCYRRHETINIC ACID METHYL ESTER
1Identification
【Name】
18-ALPHA-GLYCYRRHETINIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD00270373
【English Synonyms】
【Formula】
C31 H48 O4
【MolWeight】
484.716
【Inchi】
InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22+,23+,24-,27-,28+,29+,30-,31-/m1/s1
【InChIKey】
InChIKey=RMIVRCBSQPCSCQ-BSMXFTQLSA-N
【SMILES】
CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(C)C(=O)OC)C)C)C)C
【MOL File】
18-ALPHA-GLYCYRRHETI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
18-ALPHA-GLYCYRRHETINIC ACID METHYL ESTER.cml