99043-04-6
MYCOPHENOLIC ACID ACYL-BETA-D-GLUCURONIDE
NameMYCOPHENOLIC ACID ACYL-BETA-D-GLUCURONIDE
1Identification
【Name】
MYCOPHENOLIC ACID ACYL-BETA-D-GLUCURONIDE
【CAS】
【MDL】
MFCD11977846
【English Synonyms】
【Formula】
C23 H28 O12
【MolWeight】
496.462
【Inchi】
InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1
【InChIKey】
InChIKey=QBMSTEZXAMABFF-UEARNRKISA-N
【SMILES】
Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C(=O)OC2
【MOL File】
MYCOPHENOLIC ACID AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:12
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
MYCOPHENOLIC ACID ACYL-BETA-D-GLUCURONIDE.cml