Basic information
- CAS
68143-82-8- Standard SMILES
C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1- InChIKey
LNEPYGTUEWFPKT-XSPAYHLVSA-N- Molecular formula
- C22H28O6
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.18858861
Overview
(+)-Surinamensin has been reported in Daphne feddei and Virola surinamensis with data available.
Names & identifiers
- Preferred name
- (1S,2S)-2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-1-(3,4,5-trimethoxyphenyl)propan-1-ol
- IUPAC
- (1S,2S)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
Names & synonyms
(+)-SurinamensinCHEMBL464934DTXSID801316545(1S,2S)-2-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-1-(3,4,5-trimethoxyphenyl)propan-1-ol
Database identifiers
- CAS
68143-82-8- PubChem CID
- 10691693
- DTXSID
DTXSID801316545- ChEMBL
CHEMBL464934- Nikkaji
- J878.592I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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