Homohalichondrin B diacetate 19,26-diketone
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Basic information
- Standard SMILES
CC(=O)OCC(OC(C)=O)C1C[C@H]2O[C@@H]3[C@H](C[C@H]2O1)O[C@@]1(C[C@@H]3C)C[C@H](C)[C@@H]2O[C@]3(C[C@@H]2O1)C[C@H]1O[C@H]2[C@H](C)[C@H]4OC(=O)C[C@H]5CC[C@@H]6OC7[C@H]8O[C@]9(CC[C@H]%10CC(=O)[C@H](CC[C@H]%11C[C@@H](C)C(=O)C(C[C@@H]4O[C@H]2C[C@H]1O3)O%11)O%10)CC8O[C@@H]7[C@@H](O9)[C@H]6O5- InChIKey
PXGXLFJJAPMXSL-CFJVCZLQSA-N- Molecular formula
- C63H86O23
- Average molar mass
- 1,211.3 g/mol
- Monoisotopic mass
- 1,210.55598899
Names & identifiers
- Preferred name
- Homohalichondrin B diacetate 19,26-diketone
Names & synonyms
NSC700369NSC-700369NCI60_036029Homohalichondrin B diacetate 19,26-diketone
Database identifiers
- PubChem CID
- 395620
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 6
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 2,660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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