(-)-Thalmiculimine
Basic information
- CAS
105437-18-1- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3c1cc(OC)c(OC)c3Oc1cc3c(c(O)c1OC)CCN(C)[C@H]3C2- InChIKey
GLADJWPVQRCRIG-LJAQVGFWSA-N- Molecular formula
- C37H38N2O7
- Average molar mass
- 622.7 g/mol
- Monoisotopic mass
- 622.26790156
Overview
(-)-Thalmiculimine has been reported in Thalictrum cultratum with data available.
Names & identifiers
- Preferred name
- (-)-Thalmiculimine
- IUPAC
- (25S)-4,5,20,31-tetramethoxy-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-30-ol
Names & synonyms
(-)-ThalmiculimineThalmiculimine105437-18-11H-8,9,13-(1,3)Butadien(1)yl(4)ylidene-4,6:15,18-dietheno-20,24-metheno-10H-pyrido(2,3-t)(1,13,6)dioxaazacyclotricosin-34-ol, 2,3,11,14,25,25a-hexahydro-21,31,32,33-tetramethoxy-1-methyl-, (S)-
Database identifiers
- CAS
105437-18-1- PubChem CID
- 184489
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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