Butanoic acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl ester
[CAS# 107021-11-4]

Identification

• Name: Butanoic acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl ester
• Synonyms: Aids-001550; Aids001550; Butanoic Acid, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-Trihydroxy-17-[(1R)-1-Hydroxyethyl]-5,13-Bis(2-Methoxy-2-Oxoethylidene)-10,10,26,26-Tetramethyl-19-Oxo-18,27,28,29-Tetraoxatetracyclo[21.3.1.13,7.111,15]Nonacos-8-En-25-Yl Ester
• Molecular Formula: C₄₁H₆₂O₁₅
• Molecular Weight: 794.93
• CAS Registry Number: 107021-11-4
• SMILES: [C@@]12(C([C@@H](OC(=O)CCC)C[C@H](O1)C[C@H](CC(O[C@H](C[C@@H]4CC(\C[C@](C(\C=C\[C@@H]3O[C@H](C2)C/C(=C/C(=O)OC)C3)(C)C)(O4)O)=C/C(=O)OC)[C@@H](O)C)=O)O)(C)C)O
• InChI: 1S/C41H62O15/c1-9-10-34(44)54-33-21-30-18-27(43)19-37(47)53-32(24(2)42)20-29-15-26(17-36(46)51-8)22-40(48,55-29)38(3,4)12-11-28-13-25(16-35(45)50-7)14-31(52-28)23-41(49,56-30)39(33,5)6/h11-12,16-17,24,27-33,42-43,48-49H,9-10,13-15,18-23H2,1-8H3/b12-11+,25-16+,26-17+/t24-,27+,28-,29-,30+,31-,32+,33-,40+,41-/m0/s1
• InChIKey: UYHQBUSZLQOCRF-OYLGSXELSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 888.727°C at 760 mmHg (Cal.)
• Flash point: 259.855°C (Cal.)