Cas no 129046-68-0 (Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI))
129046-68-0 structure
Product Name:Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)
CAS No:129046-68-0
MF:C35H57NO12
MW:683.826592206955
CID:216282
Update Time:2024-03-01
Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,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-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)
- Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-
- Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7
- Mycinamicin XV
- MycinamicinI, 12,13-deepoxy-12,13-didehydro-2B,3B-di-O-demethyl-14-hydroxy-
- Mycinamycin XV
- Oxacyclohexadecane, mycinamicin I deriv.
- Oxacyclohexadeca-3,11,13-triene-2,10-dione, 15-[[(6-deoxy-β-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)
-
- Inchi: 1S/C35H57NO12/c1-9-26-35(43,18-44-33-31(42)30(41)28(39)23(6)46-33)15-11-10-12-25(37)20(3)16-21(4)32(19(2)13-14-27(38)47-26)48-34-29(40)24(36(7)8)17-22(5)45-34/h10-15,19-24,26,28-34,39-43H,9,16-18H2,1-8H3
- InChI Key: IOEAOHLFINUPGX-UHFFFAOYSA-N
- SMILES: CCC1C(COC2C(O)C(O)C(O)C(C)O2)(O)C=CC=CC(=O)C(C)CC(C)C(OC2C(O)C(N(C)C)CC(C)O2)C(C)C=CC(=O)O1
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 48
- XLogP3: 0.858
Experimental Properties
- Density: 1.24±0.1 g/cm3(Predicted)
- Boiling Point: 843.0±65.0 °C(Predicted)
- PSA: 52.54
- pka: 11.98±0.70(Predicted)
Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
129046-68-0 (Oxacyclohexadeca-3,11,13-triene-2,10-dione,15-[[(6-deoxy-b-D-allopyranosyl)oxy]methyl]-16-ethyl-15-hydroxy-5,7,9-trimethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3E,5S,6S,7S,9R,11E,13E,15S,16R)- (9CI)) Related Products
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