Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C60H86O19
- Molecular weight
- 1111.3 g/mol
- SMILES
- C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@H](O4)[C@H](C[C@H](CO)O)O)C)C)O[C@H]9C[C@H](C1=C)O2)C
- InChIKey
- FXNFULJVOQMBCW-VZBLNRDYSA-N
- XLogP
- 3.6
- Polar surface area
- 216 Ų
- H-bond donors
- 3
- H-bond acceptors
- 19
- Formal charge
- 0
via PubChem
Research
152 papers- A Reverse Approach to the Total Synthesis of Halichondrin B.Journal of the American Chemical Society · 2021
- Eribulin mesylate: a novel halichondrin B analogue for the treatment of metastatic breast cancer.American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists · 2012
- Natural product drug discovery: the successful optimization of ISP-1 and halichondrin B.Current opinion in chemical biology · 2011
- Halichondrin B and homohalichondrin B, marine natural products binding in the vinca domain of tubulin. Discovery of tubulin-based mechanism of action by analysis of differential cytotoxicity data.The Journal of biological chemistry · 1991
- Interaction of halichondrin B and homohalichondrin B with bovine brain tubulin.Biochemical pharmacology · 1993
via PubMed
Wikidata facts
- Mass
- 1110.576330532
Show 5 more facts
- canonical SMILES
- O=C1OC2C(OC3CC4OC5(OC6C(OC7(OC8CC(OC8C(C)C7)C(O)CC(O)CO)CC6C)C5)CC4OC3C2C)CC9OC(CCC%10OC(CC%10=C)CCC%11%12OC%13C(OC%14C%13OC%15CCC(OC%15C%14O%11)C1)C%12)CC(C9=C)C
- isomeric SMILES
- C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)O[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H]1C[C@H]2O[C@@]4(C[C@@H]5O[C@]6(C[C@H](C)[C@@H]7O[C@H]([C@@H](O)C[C@@H](O)CO)C[C@@H]7O6)C[C@H](C)[C@@H]5O4)C[C@H]2O[C@H]1[C@@H]3C
- chemical formula
- C₆₀H₈₆O₁₉
- found in taxon
- Semisuberites cribrosa
- Commons category
- Halichondrin B
Sources (1)
via Wikidata · CC0