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Basic information
- Standard SMILES
C=C1C2C[C@@H]3O[C@H]4C[C@H]5O[C@@]6(C[C@@H]7O[C@]8(C[C@H](C)[C@@H]9O[C@@H]%10CC(C=O)O[C@@H]%10C[C@@H]9O8)C[C@H](C)[C@@H]7O6)C[C@H]5O[C@H]4[C@H](C)[C@H]3OC(=O)C[C@H]3CC[C@@H]4OC5[C@H]6O[C@]7(CC[C@H]8CC(=C)[C@H](CC[C@@H](C[C@H]1C)O2)O8)CC6O[C@@H]5[C@@H](O7)[C@H]4O3- InChIKey
UKNLMCCEHUGESB-RJJJCZGFSA-N- Molecular formula
- C60H82O18
- Average molar mass
- 1,091.3 g/mol
- Monoisotopic mass
- 1,090.55011576
Names & identifiers
- Preferred name
- Homohalichondrin B aldehyde
Names & synonyms
Homohalichondrin B aldehydeNSC700371NSC-700371NCI60_036031
Database identifiers
- PubChem CID
- 395622
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 1
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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