126572-73-4
4'-DEMETHYLAMINO-4'-HYDROXYSTAUROSPORINE
Name4'-DEMETHYLAMINO-4'-HYDROXYSTAUROSPORINE
1Identification
【Name】
4'-DEMETHYLAMINO-4'-HYDROXYSTAUROSPORINE
【CAS】
【MDL】
MFCD00891643
【English Synonyms】
【Formula】
C27 H23 N3 O4
【MolWeight】
453.496
【Inchi】
InChI=1S/C27H23N3O4/c1-27-25(33-2)18(31)11-19(34-27)29-16-9-5-3-7-13(16)21-22-15(12-28-26(22)32)20-14-8-4-6-10-17(14)30(27)24(20)23(21)29/h3-10,18-19,25,31H,11-12H2,1-2H3,(H,28,32)/t18-,19-,25-,27+/m0/s1
【InChIKey】
InChIKey=OSJFVOAURBIGTC-SFDUFSHASA-N
【SMILES】
C[C@]12[C@H]([C@H](C[C@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)O)OC
【MOL File】
4'-DEMETHYLAMINO-4'-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-DEMETHYLAMINO-4'-HYDROXYSTAUROSPORINE.cml