Neutramycin
[CAS# 1404-08-6]

Identification

• Name: Neutramycin
• Synonyms: (1R,2R,3R,6E,8S,9S,12S,14E,16S)-12-Hydroxy-2-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]-9-[(2S,3R,4S,6R)-3-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,8,12-Trimethyl-4,17-Dioxabicyclo[14.1.0]Heptadeca-6,14-Diene-5,13-Dione; (1R,2R,3R,6E,8S,9S,12S,14E,16S)-12-Hydroxy-2-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-9-[[(2S,3R,4S,6R)-3-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-3,8,12-Trimethyl-4,17-Dioxabicyclo[14.1.0]Heptadeca-6,14-Diene-5,13-Dione; (1R,2R,3R,6E,8S,9S,12S,14E,16S)-12-Hydroxy-2-[[(2R,3R,4R,5R,6R)-5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]-9-[(2S,3R,4S,6R)-3-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-3,8,12-Trimethyl-4,17-Dioxabicyclo[14.1.0]Heptadeca-6,14-Diene-5,13-Quinone
• Molecular Formula: C₃₄H₅₄O₁₄
• Molecular Weight: 686.79
• CAS Registry Number: 1404-08-6
• SMILES: [C@H]13O[C@H]1\C=C\C(=O)[C@@](O)(CC[C@H](O[C@@H]2O[C@@H](C[C@H](OC)[C@H]2O)C)[C@H](\C=C\C(O[C@@H]([C@H]3CO[C@@H]4O[C@@H]([C@@H](O)[C@@H](OC)[C@H]4OC)C)C)=O)C)C
• InChI: 1S/C34H54O14/c1-17-9-12-26(36)45-19(3)21(16-43-33-31(42-8)30(41-7)27(37)20(4)46-33)29-23(47-29)10-11-25(35)34(5,39)14-13-22(17)48-32-28(38)24(40-6)15-18(2)44-32/h9-12,17-24,27-33,37-39H,13-16H2,1-8H3/b11-10+,12-9+/t17-,18+,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+,31+,32-,33+,34-/m0/s1
• InChIKey: RZLRMVZBGPHYJA-NMQWEAATSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 823.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 251.4±27.8°C (Cal.)