Basic information
- Standard SMILES
CC1(C)CC[C@@H]2OC(=O)[C@]34C[C@H]5[C@H](OC[C@H]5C3=O)[C@@H](O)[C@H]4[C@]23CO[C@@H](O)[C@H]13- InChIKey
CWVXJOWTWLNNLJ-ZRHWVNSDSA-N- Molecular formula
- C20H26O7
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.16785317
Names & identifiers
- Preferred name
- (1S,4S,8R,9R,12S,13S,14S,15S,18S,19R)-9,14-dihydroxy-7,7-dimethyl-3,10,16-trioxahexacyclo[16.2.1.01,13.04,12.08,12.015,19]henicosane-2,21-dione
- IUPAC
- (1S,4S,8R,9R,12S,13S,14S,15S,18S,19R)-9,14-dihydroxy-7,7-dimethyl-3,10,16-trioxahexacyclo[16.2.1.01,13.04,12.08,12.015,19]henicosane-2,21-dione
Database identifiers
- Nikkaji
- J2.538.949B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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