Crychine
Basic information
- CAS
4040-75-9- Standard SMILES
CN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4- InChIKey
PGINMPJZCWDQNT-HUUCEWRRSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.11575802
Overview
Crychine has been reported in Cryptocarya chinensis with data available.
Names & identifiers
- Preferred name
- Crychine
- IUPAC
- (1R,12R)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
- English name
- ESCHOLZINE
- Molecular formula
- C19H17NO4
- Molecular weight
- 323.34
Names & synonyms
CrychineCycloocta(1,2-f:5,6-f')bis(1,3)benzodioxol-5,12-imine, 5,6,12,13-tetrahydro-15-methyl-, (5S)-RefChem:919220(1R,12R)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo(10.10.1.02,10.04,8.013,21.015,19)tricosa-2,4(8),9,13,15(19),20-hexaeneEscholzineEscholtzineESCHOLZINE(RG)(CALL)
Database identifiers
- CAS
4040-75-9- PubChem CID
- 193382
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 127 · 127-128 °C(Solvent: Diethyl ether)
- Boiling point
- 427.298 · 427.298±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.546 · 6.546±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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