Cas no 156280-98-7 (3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, (8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]diox...)

3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, (8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]diox... structure
156280-98-7 structure
Product Name:3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, (8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]diox...
CAS No:156280-98-7
MF:C39H46N2O17
MW:814.785752773285
CID:171182
Update Time:2024-03-01

3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, (8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]diox... Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-,(8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridin-14-ylester (9CI)
    • 3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-,(8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy
    • (-)-Emarginatine E
    • 3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-, 10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,
    • 8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine,3-pyridinecarboxylic acid deriv.
    • Evonine,8-(acetyloxy)-O1,O2,O9-trideacetyl-8-deoxo-O2-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-,(8b)-
    • 3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, (8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]diox...
    • Inchi: 1S/C39H46N2O17/c1-17-18(2)33(48)57-32-28(56-34(49)22-11-12-24(45)41(8)14-22)30(47)38(16-52-19(3)42)29(46)27(54-20(4)43)25-31(55-21(5)44)39(38,37(32,7)51)58-36(25,6)15-53-35(50)23-10-9-13-40-26(17)23/h9-14,17-18,25,27-32,46-47,51H,15-16H2,1-8H3/t17-,18-,25+,27-,28-,29+,30+,31+,32+,36+,37+,38-,39-/m1/s1
    • InChI Key: LTLNQRCODBLXNO-SDZHOKLWSA-N
    • SMILES: [C@H]1([C@@]23[C@]([C@@H]4[C@H](OC(C5=CN(C)C(=O)C=C5)=O)[C@H](O)[C@@]2(COC(C)=O)[C@@H](O)[C@@H]([C@@H]1[C@](O3)(C)COC(C1C=CC=NC=1[C@H](C)[C@@H](C)C(O4)=O)=O)OC(C)=O)(O)C)OC(C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 58
  • XLogP3: -1.523

3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, (8R,9R,10R,11S,12R,13R,14R,15S,18S,19S,20S,21S,22S)-10,22-bis(acetyloxy)-12-[(acetyloxy)methyl]-5,7,8,9,10,12,13,14,15,17,18,19-dodecahydro-13,20,21-trihydroxy-8,18,19,20-tetramethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]diox... Related Literature

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