56092-81-0
IONOMYCIN
Name
IONOMYCIN
Formula
C41 H72 O9
MolWeight
709.011
1Identification
【Name】
IONOMYCIN
【CAS】
【MDL】
MFCD06798385
【English Synonyms】
【Formula】
C41 H72 O9
【MolWeight】
709.011
【Inchi】
InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
【InChIKey】
InChIKey=PGHMRUGBZOYCAA-ADZNBVRBSA-N
【SMILES】
C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:9
XLogP3:8.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
IONOMYCIN.cml
Quick Release
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