Cas no 74290-44-1 (Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI))
74290-44-1 structure
Product Name:Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI)
CAS No:74290-44-1
MF:C45H73NO15
MW:868.058835744858
CID:568390
PubChem ID:6447398
Update Time:2025-04-19
Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI) Chemical and Physical Properties
Names and Identifiers
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- Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI)
- [6-[6-[[(11Z,13E)-4-acetyloxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy
- Tylosin, 23-di-O-de(6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)-, 3- acetate-4B-(3-methylbutanoate)-
- 74290-44-1
-
- Inchi: 1S/C45H73NO15/c1-13-34-32(23-48)19-25(4)14-15-33(50)26(5)20-31(16-17-47)41(27(6)35(57-30(9)49)21-37(52)58-34)61-44-40(53)39(46(11)12)42(28(7)56-44)60-38-22-45(10,54)43(29(8)55-38)59-36(51)18-24(2)3/h14-15,17,19,24,26-29,31-32,34-35,38-44,48,53-54H,13,16,18,20-23H2,1-12H3/b15-14-,25-19+
- InChI Key: NULCSEGISRITNK-SNHUTLMUSA-N
- SMILES: O1C(C)C(C(C(C1OC1C(C)C(CC(=O)OC(CC)C(CO)C=C(C)C=CC(C(C)CC1CC=O)=O)OC(C)=O)O)N(C)C)OC1CC(C)(C(C(C)O1)OC(CC(C)C)=O)O |c:23,26|
Computed Properties
- Exact Mass: 867.49802062g/mol
- Monoisotopic Mass: 867.49802062g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 61
- Rotatable Bond Count: 15
- Complexity: 1530
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 16
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 28
- XLogP3: 3.4
- Topological Polar Surface Area: 214?2
Experimental Properties
- Density: 1.2
- Boiling Point: 915.4°C at 760 mmHg
- Flash Point: 507.4°C
- Refractive Index: 1.534
Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
74290-44-1 (Tylosin,23-O-de(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)-, 3-acetate 4B-(3-methylbutanoate) (9CI)) Related Products
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