Rimocidin
[CAS# 1393-12-0]

Identification

• Name: Rimocidin
• Synonyms: (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-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-17,23,25,27-Tetrahydroxy-15,19-Dioxo-13-Propyl-14,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid; (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-Methyl-2-Tetrahydropyranyl]Oxy]-16-Ethyl-17,23,25,27-Tetrahydroxy-15,19-Dioxo-13-Propyl-14,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid; (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-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-17,23,25,27-Tetrahydroxy-15,19-Diketo-13-Propyl-14,29-Dioxabicyclo[23.3.1]Nonacosa-4,6,8,10-Tetraene-28-Carboxylic Acid
• Molecular Formula: C₃₉H₆₁NO₁₄
• Molecular Weight: 767.91
• CAS Registry Number: 1393-12-0
• SMILES: [C@@H]13O[C@@](O)(C[C@H](O)[C@H]1C(=O)O)C[C@@H](O)CCCC(=O)C[C@@H](O)[C@@H](C(O[C@@H](C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](N)[C@@H]2O)C)C3)CCC)=O)CC
• 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
• InChIKey: AWGBZRVEGDNLDZ-JCUCCFEFSA-N