Basic information
- CAS
1041767-79-6- Standard SMILES
CC1(C)C=Cc2c(ccc3c2NC(=O)[C@]32CC34NC(=O)[C@@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1- InChIKey
RNWRZMCJFWSZOX-DZVBPNQTSA-N- Molecular formula
- C26H29N3O4
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.21580641
Names & identifiers
- Preferred name
- rel-(3a(2)R,5aS,8aS,9aS)-1a(2),2,3,7a(2),8a,9-Hexahydro-7a(2),7a(2),8,8-tetramethylspiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),3a(2)(2a(2)H)-pyrano[2,3-g]indole]-2a(2),5,10-trione
- IUPAC
- (3S,7'R,9'R)-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione
Names & synonyms
DTXSID3010989301041767-79-6rel-(3a(2)R,5aS,8aS,9aS)-1a(2),2,3,7a(2),8a,9-Hexahydro-7a(2),7a(2),8,8-tetramethylspiro[5H,6H-5a,9a-(iminomethano)-1H-cyclopent[f]indolizine-7(8H),3a(2)(2a(2)H)-pyrano[2,3-g]indole]-2a(2),5,10-trione
Database identifiers
- CAS
1041767-79-6- PubChem CID
- 165366136
- DTXSID
DTXSID301098930
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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