Cas no 1393-12-0 (12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-)

12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)- structure
1393-12-0 structure
Product Name:12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-
CAS No:1393-12-0
MF:C39H61NO14
MW:767.899953603745
CID:179939
PubChem ID:6440843
Update Time:2025-04-19

12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)- Chemical and Physical Properties

Names and Identifiers

    • 12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-
    • Rimocidine
    • (1S,3R,4E,6E,8E,10E,13R,16S,17R,23S,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonac
    • 12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-1
    • 12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,1
    • Rimocidin
    • (1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
    • (1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-[(3-Amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
    • 72LLC1Q06O
    • 1393-12-0
    • 12,29-DIOXABICYCLO(23.3.1)NONACOSA-15,17,19,21-TETRAENE-26-CARBOXYLIC ACID, 23-((3-AMINO-3,6-DIDEOXY-.BETA.-D-MANNOPYRANOSYL)OXY)-10-ETHYL-1,3,9,27-TETRAHYDROXY-7,11-DIOXO-13-PROPYL-, (1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-
    • DTXSID601029392
    • Q27149253
    • CHEBI:80106
    • UNII-72LLC1Q06O
    • RIMOCIDIN [MI]
    • Inchi： 1S/C39H61NO14/c1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26/h6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48)/b7-6+,10-8+,11-9+,18-12+/t23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-/m1/s1
    • InChI Key： AWGBZRVEGDNLDZ-JCUCCFEFSA-N
    • SMILES： O1[C@@]2(C[C@H](CCCC(C[C@H]([C@@H](C(=O)O[C@@H](CC=CC=CC=CC=C[C@@H](C[C@H]1[C@H](C(=O)O)[C@H](C2)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](C)O1)O)N)O)CCC)CC)O)=O)O)O |t:16,18,20,22|

Computed Properties

  • Exact Mass: 783.40423
  • Monoisotopic Mass: 767.409206
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 6
  • Complexity: 1320
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 256
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.34
  • Boiling Point: 1039.5°Cat760mmHg
  • Flash Point: 582.5°C
  • Refractive Index: 1.597
  • PSA: 275.99
  • Specific Rotation: D25 +116° (pyridine)

12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)- Related Literature

1393-12-0 (12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylicacid, 23-[(3-amino-3,6-dideoxy-b-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-,(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,25S,26R,27S)-) Related Products

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