(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[21.3.1.1^3,7 .1^11,15]Nonacos-8-En-25-Yl 3-Methylbutanoate
[CAS# 102580-65-4]

Identification

• Name: (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[21.3.1.1^3,7 .1^11,15]Nonacos-8-En-25-Yl 3-Methylbutanoate
• Synonyms: bryostatin 10
• Molecular Formula: C₄₂H₆₄O₁₅
• Molecular Weight: 808.95
• CAS Registry Number: 102580-65-4
• SMILES: CC(C)CC(=O)O[C@H]3C[C@H]2C[C@@H](O)CC(=O)O[C@H](C[C@@H]1CC(=C\C(=O)OC)/C[C@@](O)(O1)[C@](C)(C)/C=C/[C@H]4CC(=C\C(=O)OC)/C[C@@H](C[C@](O)(O2)[C@@]3(C)C)O4)[C@@H](C)O
• InChI: 1S/C42H64O15/c1-24(2)12-37(47)55-34-21-31-18-28(44)19-38(48)54-33(25(3)43)20-30-15-27(17-36(46)52-9)22-41(49,56-30)39(4,5)11-10-29-13-26(16-35(45)51-8)14-32(53-29)23-42(50,57-31)40(34,6)7/h10-11,16-17,24-25,28-34,43-44,49-50H,12-15,18-23H2,1-9H3/b11-10+,26-16+,27-17+/t25-,28-,29+,30+,31-,32+,33-,34+,41-,42+/m1/s1
• InChIKey: ASKILCNAKQELBN-UOUKMDSOSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 891.762°C at 760 mmHg (Cal.)
• Flash point: 258.8°C (Cal.)
• Refractive index: 1.557 (Cal.)