5-Hydroxythalidasine
Basic information
- CAS
105418-74-4- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3- InChIKey
XKFRUFRRLXHUFK-VMPREFPWSA-N- Molecular formula
- C39H44N2O8
- Average molar mass
- 668.8 g/mol
- Monoisotopic mass
- 668.30976637
Overview
5-Hydroxythalidasine has been reported in Thalictrum cultratum with data available.
Names & identifiers
- Preferred name
- 5-Hydroxythalidasine
- IUPAC
- (3S,22S)-10,11,15,16,27-pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14,16,18(36),24(35),25,27,30(34),31-dodecaen-17-ol
Names & synonyms
5-Hydroxythalidasine(-)-5-Hydroxythalidasine105418-74-4
Database identifiers
- CAS
105418-74-4- PubChem CID
- 184487
- Nikkaji
- J2.446.136J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…