Basic information
- CAS
35321-80-3- Standard SMILES
CC[C@@H](C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@@H](O)[C@H](O)[C@]4(C)OCC23[C@@H]14- InChIKey
OKIKYYZNNZCZRX-JCZOWBQHSA-N- Molecular formula
- C25H34O9
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.22028266
Names & identifiers
- Preferred name
- [(2S,3R,6R,8S,12S,13S,14R,15R,16S,17R)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] (2R)-2-methylbutanoate
- IUPAC
- [(2S,3R,6R,8S,12S,13S,14R,15R,16S,17R)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] (2R)-2-methylbutanoate
Names & synonyms
NSC 266494[(2S,3R,6R,8S,12S,13S,14R,15R,16S,17R)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl] (2R)-2-methylbutanoate
Database identifiers
- CAS
35321-80-3- PubChem CID
- 65397
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 975
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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