oletetrin
[CAS# 8048-44-0]

Identification

• Name: oletetrin
• Synonyms: Oleandomycin, phosphate (1:1) (salt), mixt. with (4S-(4α,4aα,5aα,6β,12aα))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Oletetrin
• Molecular Formula: C₅₇H₈₅N₃O₂₄P
• Molecular Weight: 1227.27
• CAS Registry Number: 8048-44-0
• SMILES: [O-]P([O-])([O-])=O.O=C3\C2=C(/O)c1c(cccc1O)[C@](O)(C)[C@H]2C[C@@H]4[C@@]3(O)C(=O)\C(=C(/O)N)C(=O)[C@H]4N(C)C.O=C4[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)[C@@H]([C@@H](O[C@@H]1O[C@H]([C@H](O)[C@@H](OC)C1)C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H](C)C[C@]43OC3)C)C
• InChI: 1S/C35H61NO12.C22H24N2O8.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;(H3,1,2,3,4)/p-3/b;20-14-;/t16-,17-,18+,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29-,30+,31+,34+,35-;9-,10-,15-,21+,22-;/m10./s1
• InChIKey: VANFHWRGKUSRBA-YVTOBBNUSA-K

Properties

• Boiling point: 802.6°C at 760 mmHg (Cal.)
• Flash point: 439.2°C (Cal.)