(11E,13Z)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
[CAS# 86131-94-4]

Identification

• Name: (11E,13Z)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,7,9,13-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
• Synonyms: 19-Deformyl-5-O-desosaminyl tylonide; 19-Dfdat; Cirramycin A1, 12,13-deepoxy-12,13-didehydro-6-de(2-oxoethyl)-4'-deoxy-23-hydroxy-6-methyl-
• Molecular Formula: C₃₀H₅₁NO₈
• Molecular Weight: 553.73
• CAS Registry Number: 86131-94-4
• SMILES: O=C2\C=C\C(=C/C(CO)C(OC(=O)CC(O)C(C(O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1O)C)C(C)CC2C)C)CC)C
• InChI: 1S/C30H51NO8/c1-9-26-22(16-32)12-17(2)10-11-24(33)18(3)13-19(4)29(21(6)25(34)15-27(35)38-26)39-30-28(36)23(31(7)8)14-20(5)37-30/h10-12,18-23,25-26,28-30,32,34,36H,9,13-16H2,1-8H3/b11-10+,17-12-/t18?,19?,20-,21?,22?,23+,25?,26?,28-,29?,30+/m1/s1
• InChIKey: HRTZUWRKGGQZSS-RDVDJGERSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 723.619°C at 760 mmHg (Cal.)
• Flash point: 391.431°C (Cal.)