Didemnaketal A
[CAS# 135257-49-7]

Identification

• Name: Didemnaketal A
• Synonyms: 2-Undecenoic Acid, 7-(Acetyloxy)-11-[8-(1-Hydroxy-2-Oxopropyl)-4,10-Dimethyl-1,7-Dioxaspiro[5.5]Undec-2-Yl]-2,6,10-Trimethyl-8,11-Bis(3-Methyl-1-Oxobutoxy)-5-(1-Oxopropoxy)-, Methyl Ester; Aids-104963; Aids104963
• Molecular Formula: C₄₅H₇₄O₁₄
• Molecular Weight: 839.07
• CAS Registry Number: 135257-49-7
• SMILES: [C@@]12(O[C@@H](C(C(=O)C)O)C[C@@H](C1)C)OC(C(OC(=O)CC(C)C)C(CC(C(C(C(OCC(=O)CC)C\C=C(C(=O)OC)/C)C)OC(=O)C)OC(=O)CC(C)C)C)CC(C2)C
• InChI: 1S/C45H74O14/c1-14-34(48)24-54-35(16-15-29(8)44(52)53-13)31(10)43(55-33(12)47)37(56-39(49)17-25(2)3)21-30(9)42(57-40(50)18-26(4)5)38-20-28(7)23-45(59-38)22-27(6)19-36(58-45)41(51)32(11)46/h15,25-28,30-31,35-38,41-43,51H,14,16-24H2,1-13H3/b29-15+/t27-,28?,30?,31?,35?,36+,37?,38?,41?,42?,43?,45+/m0/s1
• InChIKey: NZTRWPAUTAXCNH-SMPFDBTDSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 825.928°C at 760 mmHg (Cal.)
• Flash point: 227.698°C (Cal.)