3'-Hydroxydianemycin
[CAS# 80118-78-1]

Identification

• Name: 3'-Hydroxydianemycin
• Synonyms: Sodium (E)-6-[[(2S,8S,9S)-9-Hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-Tetrahydropyran-2-Yl]-9-[(2S,4R,5S,6R)-4-Hydroxy-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-8-Yl]Methyl]-2,4-Dimethyl-5-Oxo-Non-6-Enoate; Sodium (E)-6-[[(2S,8S,9S)-9-Hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-Hydroxy-6-(Hydroxymethyl)-3,5-Dimethyl-2-Tetrahydropyranyl]-9-[[(2S,4R,5S,6R)-4-Hydroxy-5-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-8-Yl]Methyl]-2,4-Dimethyl-5-Oxonon-6-Enoate; Sodium (E)-6-[[(2S,8S,9S)-9-Hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-Hydroxy-3,5-Dimethyl-6-Methylol-Tetrahydropyran-2-Yl]-9-[(2S,4R,5S,6R)-4-Hydroxy-5-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,10-Dimethyl-1,6-Dioxaspiro[4.5]Decan-7-Yl]-2,8-Dimethyl-1,6-Dioxaspiro[4.5]Decan-8-Yl]Methyl]-5-Keto-2,4-Dimethyl-Non-6-Enoate
• Molecular Formula: C₄₇H₇₇NaO₁₅
• Molecular Weight: 905.11
• CAS Registry Number: 80118-78-1
• SMILES: [C@H]4(OC1(O[C@H](C[C@H]1C)C2O[C@](O)([C@@H](C[C@@H]2C)C)CO)[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](OC)[C@H](O)C3)C)C4)C)[C@]6(OC5(OC[C@@]([C@@H](O)C5)(C\C(C(=O)C(CC(C([O-])=O)C)C)=C/CC)C)CC6)C.[Na+]
• InChI: 1S/C47H78O15.Na/c1-12-13-32(39(51)25(2)16-27(4)42(52)53)21-43(9)24-56-45(22-36(43)50)15-14-44(10,62-45)37-20-34(58-38-19-33(49)41(55-11)31(8)57-38)30(7)47(60-37)29(6)18-35(59-47)40-26(3)17-28(5)46(54,23-48)61-40;/h13,25-31,33-38,40-41,48-50,54H,12,14-24H2,1-11H3,(H,52,53);/q;+1/p-1/b32-13+;/t25?,26-,27?,28+,29+,30+,31+,33+,34-,35+,36-,37+,38+,40?,41+,43-,44-,45?,46-,47?;/m0./s1
• InChIKey: GJCZSMNFNGAGGV-BZFNCKAFSA-M

Properties

• Boiling point: 942.9°C at 760 mmHg (Cal.)
• Flash point: 266.5°C (Cal.)