2-Northalmine
Basic information
- CAS
101488-79-3- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(O)c(c3CCN1C)Oc1cc3c(cc1OC)CCN[C@H]3C2- InChIKey
NHMYHHBUVRHDCG-VMPREFPWSA-N- Molecular formula
- C36H38N2O6
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.27298694
Overview
2-Northalmine has been reported in Thalictrum cultratum with data available.
Names & identifiers
- Preferred name
- 2-Northalmine
- IUPAC
- (12S,25S)-5,20,31-trimethoxy-11-methyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol
Names & synonyms
2-Northalmine(-)-2-Northalmine101488-79-3DTXSID60143947Thalman-6'-ol, 6,7',12-trimethoxy-2'-methyl-(12S,25S)-5,20,31-trimethoxy-11-methyl-2,18-dioxa-11,26-diazaheptacyclo(23.6.2.214,17.119,23.03,8.07,12.029,33)hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-ol(12S,25S)-5,20,31-trimethoxy-11-methyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.214,17.119,23.03,8.07,12.029,33]hexatriaconta-1(31),3(8),4,6,14(36),15,17(35),19,21,23(34),29,32-dodecaen-4-olRefChem:88787DTXCID2066438(1~1~S,3~1~S)-1~7~,3~6~,5~4~-Trimethoxy-1~2~-methyl-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(5,1),3(7,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphan-1~6~-ol
Database identifiers
- CAS
101488-79-3- PubChem CID
- 180979
- DTXSID
DTXSID60143947- Nikkaji
- J2.402.186F
Properties
Computed structural properties
- XLogP
- 5.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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