Basic information
- CAS
97588-26-6- Standard SMILES
CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@@]2(O)[C@@]41C- InChIKey
JJSYXNQGLHBRRK-UXHWTGHCSA-N- Molecular formula
- C25H35NO9
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 493.23118169
Names & identifiers
- Preferred name
- Ryanodol, 3-(1H-pyrrole-2-carboxylate), (9-alpha)-
- IUPAC
- [(1R,2R,3R,6S,7R,9R,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
Names & synonyms
Ryanodol, 3-(1H-pyrrole-2-carboxylate), (9-alpha)-97588-26-6RefChem:10981899-Epiryanodine9-epi-Ryanodine
Database identifiers
- CAS
97588-26-6- PubChem CID
- 175709
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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