13-((2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1-hydroxy-5-tridecanone
Basic information
- CAS
173220-08-1- Standard SMILES
O=C(CCCCO)CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
HLJOKJJUFIWVNY-BRSBDYLESA-N- Molecular formula
- C18H35NO5
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.25152322
Overview
Broussonetine D has been reported in Broussonetia kazinoki with data available.
Names & identifiers
- Preferred name
- 13-((2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1-hydroxy-5-tridecanone
- IUPAC
- 13-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridecan-5-one
Names & synonyms
Broussonetine D173220-08-113-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridecan-5-one13-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-1-hydroxytridecan-5-oneRefChem:90809813-((2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1-hydroxy-5-tridecanone(+)-Broussonetine DMLS000575007DTXSID30938347SMR00023235313-[3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridecan-5-one
Database identifiers
- CAS
173220-08-1- PubChem CID
- 177263
- DTXSID
DTXSID30938347- Nikkaji
- J819.528E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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