Noboritomycin A
[CAS# 68508-45-2]

Identification

• Name: Noboritomycin A
• Synonyms: 6-[(3R,5S)-7-[(3R,9S,10S,12R)-2-[(4R)-5-Ethoxycarbonyl-4-Hydroxy-Tetrahydrofuran-2-Yl]-15-Hydroxy-3-Methoxy-2,4,10,12-Tetramethyl-1,6,8-Trioxadispiro[4.1.5^{7}.3^{5}]Pentadec-13-En-9-Yl]-4-Hydroxy-1,3,5-Trimethyl-6-Oxo-Octyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 6-[(3R,5S)-7-[(3R,9S,10S,12R)-2-[(4R)-5-Ethoxycarbonyl-4-Hydroxy-2-Tetrahydrofuranyl]-15-Hydroxy-3-Methoxy-2,4,10,12-Tetramethyl-1,6,8-Trioxadispiro[4.1.5^{7}.3^{5}]Pentadec-13-En-9-Yl]-4-Hydroxy-1,3,5-Trimethyl-6-Oxooctyl]-2-Hydroxy-3-Methylbenzoic Acid; 6-[(3R,5S)-7-[(3R,9S,10S,12R)-2-[(4R)-5-Carbethoxy-4-Hydroxy-Tetrahydrofuran-2-Yl]-15-Hydroxy-3-Methoxy-2,4,10,12-Tetramethyl-1,6,8-Trioxadispiro[4.1.5^{7}.3^{5}]Pentadec-13-En-9-Yl]-4-Hydroxy-6-Keto-1,3,5-Trimethyl-Octyl]-2-Hydroxy-3-Methyl-Benzoic Acid
• Molecular Formula: C₄₃H₆₄O₁₄
• Molecular Weight: 804.97
• CAS Registry Number: 68508-45-2
• SMILES: [C@H]4(OC)C(OC3(OC1(O[C@@H]([C@H](C[C@H]1C)C)C(C(=O)[C@H](C(O)[C@@H](CC(C2=CC=C(C(=C2C(=O)O)O)C)C)C)C)C)C=CC3O)C4C)(C5OC([C@H](O)C5)C(OCC)=O)C
• InChI: 1S/C43H64O14/c1-12-53-40(51)37-29(44)19-31(54-37)41(10)38(52-11)27(9)43(56-41)30(45)15-16-42(57-43)24(6)18-23(5)36(55-42)26(8)35(48)25(7)33(46)22(4)17-21(3)28-14-13-20(2)34(47)32(28)39(49)50/h13-16,21-27,29-31,33,36-38,44-47H,12,17-19H2,1-11H3,(H,49,50)/t21?,22-,23+,24-,25+,26?,27?,29-,30?,31?,33?,36+,37?,38-,41?,42?,43?/m1/s1
• InChIKey: HENKHDHCZSYXMA-YUQGXNEJSA-N

Properties

• Density: 1.282g/cm³ (Cal.)
• Boiling point: 905.767°C at 760 mmHg (Cal.)
• Flash point: 263.941°C (Cal.)