(1S,3S,5Z,7R,8E,11R,13Z,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[21.3.1.1^3,7 .1^11,15]Nonacos-8-En-25-Yl 2,2-Dimethylpropanoate
[CAS# 173107-74-9]

Identification

• Name: (1S,3S,5Z,7R,8E,11R,13Z,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[21.3.1.1^3,7 .1^11,15]Nonacos-8-En-25-Yl 2,2-Dimethylpropanoate
• Synonyms: (1S,3S,5Z,7R,8E,11R,13Z,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[21.3.1.1^3,7.1^11,15]nonacos-8-en-25-yl 2,2-dimethylpropanoate; (1S,3S,5Z,7R,8E,11R,13Z,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 2,2-dimethylpropanoate
• Molecular Formula: C₄₂H₆₄O₁₅
• Molecular Weight: 808.95
• CAS Registry Number: 173107-74-9
• SMILES: C[C@H]([C@H]1C[C@@H]2C/C(=C/C(=O)OC)/C[C@@](O2)(C(/C=C/[C@H]3C/C(=C\C(=O)OC)/C[C@H](O3)C[C@]4(C([C@H](C[C@H](O4)C[C@H](CC(=O)O1)O)OC(=O)C(C)(C)C)(C)C)O)(C)C)O)O
• InChI: 1S/C42H64O15/c1-24(43)32-20-29-15-26(17-35(46)52-10)22-41(49,56-29)39(5,6)12-11-28-13-25(16-34(45)51-9)14-31(53-28)23-42(50)40(7,8)33(55-37(48)38(2,3)4)21-30(57-42)18-27(44)19-36(47)54-32/h11-12,16-17,24,27-33,43-44,49-50H,13-15,18-23H2,1-10H3/b12-11+,25-16+,26-17-/t24-,27-,28+,29+,30-,31+,32-,33+,41-,42+/m1/s1
• InChIKey: AVJAOOKIOFJJOC-VXOITNNESA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 888.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 257.6±27.8°C (Cal.)
• Refractive index: 1.557 (Cal.)