Cas no 129046-67-9 (Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI))
129046-67-9 structure
Product Name:Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)
CAS No:129046-67-9
MF:C36H59NO12
MW:697.853172540665
CID:1224314
Update Time:2024-08-04
Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)
- MycinamicinI, 12,13-deepoxy-12,13-didehydro-4-demethyl-14-hydroxy-
- Oxacyclohexadecane,mycinamicin I deriv.
- Mycinamicin XIV
- Mycinamycin XIV
- Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,
- Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]
- Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-2,3-di-O-methyl-β-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)
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- Inchi: 1S/C36H59NO12/c1-10-28-36(42,20-45-35-33(44-9)32(43-8)30(40)24(5)47-35)17-12-11-14-26(38)21(2)18-22(3)27(15-13-16-29(39)49-28)48-34-31(41)25(37(6)7)19-23(4)46-34/h11-14,16-17,21-25,27-28,30-35,40-42H,10,15,18-20H2,1-9H3
- InChI Key: MGAKDLNEBWLFRK-UHFFFAOYSA-N
- SMILES: CCC1C(COC2C(OC)C(OC)C(O)C(C)O2)(O)C=CC=CC(=O)C(C)CC(C)C(OC2C(O)C(N(C)C)CC(C)O2)CC=CC(=O)O1
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 49
- XLogP3: 0.745
Experimental Properties
- Density: 1.20±0.1 g/cm3(Predicted)
- Boiling Point: 826.0±65.0 °C(Predicted)
- PSA: 52.54
- pka: 11.97±0.70(Predicted)
Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI) Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
129046-67-9 (Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-7,9-dimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,6R,7S,9R,11E,13E,15S,16R)- (9CI)) Related Products
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