Thalmiculatimine
Basic information
- CAS
105418-71-1- Standard SMILES
COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2- InChIKey
ZORTVIOXAICGQZ-LJAQVGFWSA-N- Molecular formula
- C36H36N2O6
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.25733687
Overview
Thalmiculatimine has been reported in Thalictrum cultratum with data available.
Names & identifiers
- Preferred name
- Thalmiculatimine
- IUPAC
- (25S)-4,5,31-trimethoxy-26-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),4,6,11,14(36),15,17(35),19,21,23(34),29,32-tridecaen-20-ol
Names & synonyms
Thalmiculatimine(-)-Thalmiculatimine105418-71-1
Database identifiers
- CAS
105418-71-1- PubChem CID
- 184485
- Nikkaji
- J2.399.413E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 988
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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