56283-74-0
MONENSIN, 16-DEETHYL-3-O-DEMETHYL-16-METHYL-3-O-(1-OXOPROPYL)-
NameMONENSIN, 16-DEETHYL-3-O-DEMETHYL-16-METHYL-3-O-(1-OXOPROPYL)-
1Identification
【Name】
MONENSIN, 16-DEETHYL-3-O-DEMETHYL-16-METHYL-3-O-(1-OXOPROPYL)-
【CAS】
【MDL】
MFCD01714651
【English Synonyms】
【Formula】
C37 H62 O12
【MolWeight】
698.885
【Inchi】
InChI=1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,29-,30+,31-,32+,34-,35-,36?,37-/m0/s1
【InChIKey】
InChIKey=ZNBNBTIDJSKEAM-GKSMYFLPSA-N
【SMILES】
CCC(=O)O[C@H]([C@H](C)[C@@H]1[C@@H]([C@H](CC2(O1)CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C)O)C)[C@H](C)C(=O)O
【MOL File】
MONENSIN, 16-DEETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
MONENSIN, 16-DEETHYL-3-O-DEMETHYL-16-METHYL-3-O-(1-OXOPROPYL)-.cml