Basic information
- CAS
26131-12-4- Standard SMILES
CC(C)C(O)(C(=O)OCC1=CC[NH+]2CC[C@H](O)C12)C(C)O.[Cl-]- InChIKey
BMOMIMCFYJPYAD-POCOWOEXSA-N- Molecular formula
- C15H26ClNO5
- Average molar mass
- 335.82 g/mol
- Monoisotopic mass
- 335.1499506
Names & identifiers
- Preferred name
- (1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate--hydrogen chloride (1/1)
- IUPAC
- [(7S)-7-hydroxy-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate chloride
Names & synonyms
26131-12-4DTXSID30949019(1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate--hydrogen chloride (1/1)RefChem:1049258DTXCID001377226Rinderine hydrochlorideO-Demethylheliotrine hydrochlorideHeliotrine, O-demethyl-Heliotridine trachelanthate hydrochlorideHELIOTRINE, O-DEMETHYL-, HYDROCHLORIDE
Database identifiers
- CAS
26131-12-4- PubChem CID
- 33337
Properties
Computed structural properties
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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