Cas no 130433-01-1 (12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI))

12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI) structure
130433-01-1 structure
Product Name:12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI)
CAS No:130433-01-1
MF:C40H61NO15
MW:795.91005396843
CID:193597
PubChem ID:24893427
Update Time:2025-04-19

12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI)
    • EurocidinD
    • 128808-62-8
    • Eurocidin D
    • (17Z,21Z)-25-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-13-butan-2-yl-1,3,4,9,29-pentahydroxy-7,11-dioxo-12,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylic acid
    • 130433-01-1
    • (17Z,21E)-25-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-13-butan-2-yl-1,3,4,9,29-pentahydroxy-7,11-dioxo-12,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylic acid
    • Inchi： 1S/C40H61NO15/c1-4-23(2)31-15-13-11-9-7-5-6-8-10-12-14-27(54-39-37(49)35(41)36(48)24(3)53-39)20-32-34(38(50)51)30(46)22-40(52,56-32)21-29(45)28(44)17-16-25(42)18-26(43)19-33(47)55-31/h5-14,23-24,26-32,34-37,39,43-46,48-49,52H,4,15-22,41H2,1-3H3,(H,50,51)/b6-5-,9-7-,10-8+,13-11?,14-12?/t23?,24-,26?,27?,28?,29?,30?,31?,32?,34?,35+,36-,37+,39+,40?/m1/s1
    • InChI Key： ISJFQHRNXXQEGT-OAQAANMJSA-N
    • SMILES： O1C2(CC(C(CCC(CC(CC(=O)OC(CC=CC=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)CC)O)=O)O)O)O |c:18,20,t:22|

Computed Properties

  • Exact Mass: 795.40412
  • Monoisotopic Mass: 795.40412
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 5
  • Complexity: 1420
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 3
  • Topological Polar Surface Area: 276
  • XLogP3: -0.9

Experimental Properties

  • Density: 1.34
  • Boiling Point: 1043.1°Cat760mmHg
  • Flash Point: 584.7°C

12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI) Related Literature

130433-01-1 (12,31-Dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylicacid, 25-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1,3,4,9,29-pentahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI)) Related Products

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