Cas no 130767-46-3 (10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI))

10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI) structure
130767-46-3 structure
Product Name:10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI)
CAS No:130767-46-3
MF:C37H59NO14
MW:741.862673044205
CID:154955
PubChem ID:6440840
Update Time:2025-04-19

10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI)
    • (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-20,21,23,25,27-pentahydroxy-17-oxo-15-propan-2-yl-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
    • 10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1
    • YS 822A
    • 10,29-Dioxabicyclo(23.3.1)nonacasa-15,17,19,21-tetraene-26-carboxylic acid, 23-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo-
    • 10,29-Dioxabicyclo(23.3.1)nonacosa-15,17,19,21-tetraene-26-carboxylic acid, 23-((3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy)-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo-
    • 23-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1
    • Antibiotic YS 822A
    • YS-822A
    • 15-Isopropyl-20,21,23,25,27-pentahydroxy-3-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetrene-28-carboxylic acid
    • (15Z,17E,19E,21E)-23-[(2R,3S,4S,5S,6R)-4-Amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,27-pentahydroxy-9-oxo-11-propan-2-yl-10,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
    • 130767-46-3
    • Inchi： 1S/C37H59NO14/c1-21(2)28-14-12-10-8-6-4-5-7-9-11-13-24(50-36-34(45)32(38)33(44)22(3)49-36)18-29-31(35(46)47)27(42)20-37(48,52-29)19-23(39)17-26(41)25(40)15-16-30(43)51-28/h4-9,11,13,21-29,31-34,36,39-42,44-45,48H,10,12,14-20,38H2,1-3H3,(H,46,47)/b5-4+,8-6-,9-7+,13-11+/t22-,23?,24?,25?,26?,27?,28?,29?,31?,32+,33-,34+,36+,37?/m1/s1
    • InChI Key： HCAJMOSNTHQEGE-HEVHWGFOSA-N
    • SMILES： O1C2(CC(CC(C(CCC(=O)OC(CCCC=CC=CC=CC=CC(CC1C(C(=O)O)C(C2)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](C)O1)O)N)O)C(C)C)O)O)O)O |c:16,t:18,20,22|

Computed Properties

  • Exact Mass: 741.393556
  • Monoisotopic Mass: 741.393556
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 4
  • Complexity: 1240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 259
  • XLogP3: -0.7

Experimental Properties

  • Density: 1.33
  • Boiling Point: 991°Cat760mmHg
  • Flash Point: 553.2°C
  • Refractive Index: 1.598

10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI) Related Literature

130767-46-3 (10,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,5,6,27-pentahydroxy-11-(1-methylethyl)-9-oxo- (9CI)) Related Products

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