(4E,18Z,20Z)-22-Ethyl-7,11,14,15,28-Pentahydroxy-6'-(2-Hydroxypropyl)-5',6,8,10,12,14,16,28,29-Nonamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Oxane]-3,3',9,13-Tetrone
[CAS# 110231-34-0]

Identification

• Name: (4E,18Z,20Z)-22-Ethyl-7,11,14,15,28-Pentahydroxy-6'-(2-Hydroxypropyl)-5',6,8,10,12,14,16,28,29-Nonamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Oxane]-3,3',9,13-Tetrone
• Synonyms: (4E,18Z,20Z)-22-Ethyl-7,11,14,15,28-Pentahydroxy-6'-(2-Hydroxypropyl)-5',6,8,10,12,14,16,28,29-Nonamethyl-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,3',9,13-Tetrone; (4E,18Z,20Z)-22-Ethyl-7,11,14,15,28-Pentahydroxy-6'-(2-Hydroxypropyl)-5',6,8,10,12,14,16,28,29-Nonamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,3',9,13-Tetrone; (4E,18Z,20Z)-22-Ethyl-7,11,14,15,28-Pentahydroxy-6'-(2-Hydroxypropyl)-5',6,8,10,12,14,16,28,29-Nonamethyl-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,3',9,13-Diquinone
• Molecular Formula: C₄₅H₇₂O₁₃
• Molecular Weight: 821.06
• CAS Registry Number: 110231-34-0
• SMILES: C(C3OC2(OC1C(C(OC(=O)\C=C\C(C(O)C(C(=O)C(C(O)C(C(=O)C(O)(C(O)C(C/C=C\C=C/C(CC1)CC)C)C)C)C)C)C)C2(O)C)C)C(=O)CC3C)C(O)C
• InChI: 1S/C45H72O13/c1-12-32-17-15-13-14-16-25(3)40(52)43(10,54)41(53)31(9)39(51)30(8)38(50)29(7)37(49)24(2)18-21-36(48)56-42-28(6)33(20-19-32)57-45(44(42,11)55)35(47)22-26(4)34(58-45)23-27(5)46/h13-15,17-18,21,24-34,37,39-40,42,46,49,51-52,54-55H,12,16,19-20,22-23H2,1-11H3/b14-13-,17-15-,21-18+
• InChIKey: UWEZMQMMPORRMH-DMWYWAMKSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 940.557°C at 760 mmHg (Cal.)
• Flash point: 269.234°C (Cal.)