Gyrocarpine
Basic information
- CAS
102487-16-1- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(O)c(OC)c3Oc3cc4c(cc3OC)CCN(C)[C@H]4C2)CCN1C- InChIKey
VXPVPAHQYCJDTP-URLMMPGGSA-N- Molecular formula
- C37H40N2O6
- Average molar mass
- 608.7 g/mol
- Monoisotopic mass
- 608.288637
Overview
Gyrocarpine is a bisbenzylisoquinoline alkaloid.
Names & identifiers
- Preferred name
- Gyrocarpine
- IUPAC
- (1S,14R)-6,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-20-ol
Names & synonyms
Gyrocarpine102487-16-1(-)-Gyrocarpine(-)-O6-Demethylgyrolidine(1S,14R)-6,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-20-olC09458CHEBI:5582SCHEMBL29427909DTXSID40145181Oxyacanthan-6-ol, 6',7,12'-trimethoxy-2,2'-dimethyl-, (1alpha,1'alpha)-Q271068136',7,12'-Trimethoxy-2,2'-dimethyl-1alpha,1'alpha-oxyacanthan-6-ol
Show more names
2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinolin-21-ol, 3,4,4a,5,16a,17,18,19-octahydro-9,22,26-trimethoxy-4,17-dimethyl-, (4aS,16aR)-
Database identifiers
- CAS
102487-16-1- PubChem CID
- 175902
- DTXSID
DTXSID40145181- ChEBI
CHEBI:5582
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 963
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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