Basic information
- CAS
120139-68-6- Standard SMILES
COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(OC)c(c1)-c1cc(ccc1O)CC3NCC2)N(C)CC4- InChIKey
IXKWJOUSNXVCKD-UHFFFAOYSA-N- Molecular formula
- C36H38N2O6
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.27298694
Overview
Tilitriandrin has been reported in Tiliacora with data available.
Names & identifiers
- Preferred name
- Tilitriandrine
- IUPAC
- 9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
- English name
- tilitriandrine
- Molecular formula
- C36H38N2O6
- Molecular weight
- 594.7
Names & synonyms
TilitriandrinTilitriandrine120139-68-69,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol9,20,25-trimethoxy-15-methyl-23-oxa-15,30-diazaheptacyclo(22.6.2.13,7.18,12.114,18.027,31.022,33)pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diolRefChem:1900172H,16H-1,24-Etheno-6,10:11,15-dimethenopyrido[2',3':17,18]oxacycloeicosino[2,3,4-ij]isoquinoline-9,22-diol, 3,4,4a,5,16a,17,18,19-octahydro-12,21,26-trimethoxy-17-methyl-, (4aR,16aS)- (9CI)
Database identifiers
- CAS
120139-68-6- PubChem CID
- 149348
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 956
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…