(1R,10R,11S,16S)-5-hydroxy-1,11,15,15-tetramethyl-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-2,4,6-triene-3-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC1(C)CCC[C@]2(C)[C@H]3CSc4cc(O)cc(C#N)c4[C@]3(C)CC[C@@H]12- InChIKey
RZESEOFUZWGILQ-GKJHBJHPSA-N- Molecular formula
- C22H29NOS
- Average molar mass
- 355.5 g/mol
Names & identifiers
- Preferred name
- (1R,10R,11S,16S)-5-hydroxy-1,11,15,15-tetramethyl-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-2,4,6-triene-3-carbonitrile
- IUPAC
- (4aS,4bR,10bR,12aS)-8-hydroxy-1,1,4a,10b-tetramethyl-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-10-carbonitrile
Names & synonyms
SCHEMBL10101162RZESEOFUZWGILQ-GKJHBJHPSA-N(1R,10R,11S,16S)-5-hydroxy-1,11,15,15-tetramethyl-8-thiatetracyclo[8.8.0.02,7.011,16]octadeca-2,4,6-triene-3-carbonitrile
Database identifiers
- PubChem CID
- 53240751
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
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Related reactions
1 records
Compound notes
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