Basic information
- CAS
152697-37-5- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1NCCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3- InChIKey
QRSIKBXDEMEDLL-VSGBNLITSA-N- Molecular formula
- C36H38N2O6
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.27298694
Overview
6,6',12-Trimethoxy-2-methylberbaman-7-ol has been reported in Cyclea peltata with data available.
Names & identifiers
- Preferred name
- 2'-Norlimacine
- IUPAC
- (1R,14R)-9,20,25-trimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
- English name
- 2'-norlimacine
- Molecular formula
- C36H38N2O6
- Molecular weight
- 594.71
Names & synonyms
2'-Norlimacine152697-37-5(1R,14R)-9,20,25-trimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol(1R,14R)-9,20,25-trimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo(22.6.2.23,6.18,12.114,18.027,31.022,33)hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-olRefChem:804062/'-norlimacine2'-N-Norlimacine2'-Demethyllimacine2'-Demethyl-(-)-fangchinolineDTXSID609345746,6',12-Trimethoxy-2-methylberbaman-7-ol16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-17-methyl-, (4aR,16aR)- (9CI)
Database identifiers
- CAS
152697-37-5- PubChem CID
- 192608
- DTXSID
DTXSID60934574
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 932
Physicochemical properties
- Boiling point
- 720.1 · 720.1±60.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 9.38 · 9.38±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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