Basic information
- CAS
37687-27-7- Standard SMILES
COc1cc2c(cc1O)[C@H]1Cc3cc4c(cc3[C@@H](C2)N1C)OCO4- InChIKey
TZJNFQHUSMXCIT-HUUCEWRRSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Overview
(1R,12R)-16-Methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol has been reported in Eschscholzia californica and Cryptocarya chinensis with data available.
Names & identifiers
- Preferred name
- Isocaryachine-N-oxide
- IUPAC
- (1R,12R)-16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol
Names & synonyms
Isocaryachine-N-oxide(1R,12R)-16-Methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol(5S-cis)-5,6,11,12-Tetrahydro-9-methoxy-14-methylbenzo(5,6)cycloocta(1,2-f)-1,3-benzodioxol-5,11-imin-8-olBenzo(5,6)cycloocta(1,2-f)-1,3-benzodioxol-5,11-imin-8-ol, 5,6,11,12-tetrahydro-9-methoxy-14-methyl-, (5S-cis)-SCHEMBL6376741DTXSID50958724(5R,11R)-8-Methoxy-14-methyl-5,6,11,12-tetrahydro-2H-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-9-ol8-Methoxy-14-methyl-5,6,11,12-tetrahydro-2H-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-9-ol
Database identifiers
- CAS
37687-27-7- PubChem CID
- 3082467
- DTXSID
DTXSID50958724- Nikkaji
- J1.570.196J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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