(1R,2R,7S,8R,9S,17R,18S,20R,22S)-8-Acetoxy-17-(3-Furyl)-3,7-Dihydroxy-22-(2-Methoxy-2-Oxoethyl)-2,5,11,18-Tetramethyl-20-[(2-Methylbutanoyl)Oxy]-15-Oxo-10,12,16,21-Tetraoxaheptacyclo[9.9.1.1^2,5.0^{1, 9}.0^3,7.0^9,13.0^13,18]Docos-6-Yl 2,3-Dimethyl-2-Oxiranecarboxylate
[CAS# 31218-22-1]

Identification

• Name: (1R,2R,7S,8R,9S,17R,18S,20R,22S)-8-Acetoxy-17-(3-Furyl)-3,7-Dihydroxy-22-(2-Methoxy-2-Oxoethyl)-2,5,11,18-Tetramethyl-20-[(2-Methylbutanoyl)Oxy]-15-Oxo-10,12,16,21-Tetraoxaheptacyclo[9.9.1.1^2,5.0^{1, 9}.0^3,7.0^9,13.0^13,18]Docos-6-Yl 2,3-Dimethyl-2-Oxiranecarboxylate
• Synonyms: UTILIN; DivK1c_006183; KBio1_001127
• Molecular Formula: C₄₁H₅₂O₁₇
• Molecular Weight: 816.84
• CAS Registry Number: 31218-22-1
• SMILES: O=C4O[C@@H](c1ccoc1)[C@@]3(C[C@@H](OC(=O)C(C)CC)[C@@]58OC2(O[C@]5(C3(O2)C4)[C@H](OC(=O)C)[C@@]7(O)C(OC(=O)C6(OC6C)C)C9(C)CC7(O)[C@@]8(C)[C@H]9CC(=O)OC)C)C
• InChI: 1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23-,24+,27-,29?,30+,32?,33-,34?,35+,36?,37?,38?,39-,40-,41-/m0/s1
• InChIKey: HPSILLNWMJOWNM-UJMOMDHXSA-N

Properties

• Density: 1.454g/cm³ (Cal.)