Basic information
- CAS
97457-25-5- Standard SMILES
COC12CC3(C)C4(O)CCC(C)C(O)C4(O1)C1(O)C3(O)C(OC(=O)c3cccn3C)C(O)(C(C)C)C21C- InChIKey
RDLYILQWTZZESH-UHFFFAOYSA-N- Molecular formula
- C27H39NO9
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.26248182
Names & identifiers
- Preferred name
- Ryanodol, O(sup 15)-methyl-, 3-(1-methyl-1H-pyrrole-2-carboxylate)
- IUPAC
- (2,6,11,13,14-pentahydroxy-9-methoxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1-methylpyrrole-2-carboxylate
Names & synonyms
N,O(sup 15)-DimethylryanodineBRN 602534197457-25-5O(sup 15)-Methylryanodol 3-(1-methyl-1H-pyrrole-2-carboxylate)Ryanodol, O(sup 15)-methyl-, 3-(1-methyl-1H-pyrrole-2-carboxylate)Ryanodol, O15-methyl-, 3-(1-methyl-1H-pyrrole-2-carboxylate)RefChem:379380DTXSID309139124,7,8a,8b,9a-pentahydroxy-6-methoxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1-methyl-1H-pyrrole-2-carboxylate
Database identifiers
- CAS
97457-25-5- PubChem CID
- 175703
- DTXSID
DTXSID30913912
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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