Cas no 130433-02-2 (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]-1,3,9,29-tetrahydroxy-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]-1,3,9,29-tetrahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI) structure
130433-02-2 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]-1,3,9,29-tetrahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI)
CAS No:130433-02-2
MF:C40H61NO14
MW:779.910653829575
CID:159364
PubChem ID:23305313
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]-1,3,9,29-tetrahydroxy-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]-1,3,9,29-tetrahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI)
    • EurocidinE
    • 130433-02-2
    • Eurocidin E
    • (17Z,21Z)-25-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-13-butan-2-yl-1,3,9,29-tetrahydroxy-7,11-dioxo-12,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylic acid
    • (17Z,21E)-25-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-13-butan-2-yl-1,3,9,29-tetrahydroxy-7,11-dioxo-12,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaene-28-carboxylic acid
    • Inchi： 1S/C40H61NO14/c1-4-24(2)31-18-13-11-9-7-5-6-8-10-12-17-29(53-39-37(48)35(41)36(47)25(3)52-39)21-32-34(38(49)50)30(45)23-40(51,55-32)22-27(43)16-14-15-26(42)19-28(44)20-33(46)54-31/h5-13,17,24-25,27-32,34-37,39,43-45,47-48,51H,4,14-16,18-23,41H2,1-3H3,(H,49,50)/b6-5-,9-7-,10-8+,13-11?,17-12?/t24?,25-,27?,28?,29?,30?,31?,32?,34?,35+,36-,37+,39+,40?/m1/s1
    • InChI Key： QHYNZYOPJOICJB-GSFFSISKSA-N
    • SMILES： O1C2(CC(CCCC(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 |c:18,20,t:22|

Computed Properties

  • Exact Mass: 779.409206
  • Monoisotopic Mass: 779.409206
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 5
  • Complexity: 1380
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 3
  • Topological Polar Surface Area: 256
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.3
  • Boiling Point: 1018.8°Cat760mmHg
  • Flash Point: 569.9°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]-1,3,9,29-tetrahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI) Related Literature

130433-02-2 (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]-1,3,9,29-tetrahydroxy-13-(1-methylpropyl)-7,11-dioxo-(9CI)) Related Products

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