Fastigilin C
Basic information
- CAS
6995-12-6- Standard SMILES
C=C1C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](OC(=O)C=C(C)C)[C@H]12- InChIKey
QQEQKSVDPDNRRR-GQDZUWFTSA-N- Molecular formula
- C20H24O6
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15728848
Overview
Fastigilin C is a sesquiterpene lactone.
Names & identifiers
- Preferred name
- Fastigilin C
- IUPAC
- [(3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
Names & synonyms
Fastigilin C[(3aS,4R,5S,5aS,8aR,9S,9aS)-4-hydroxy-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoateCHEBI:49836995-12-6C09452Q27106607
Database identifiers
- CAS
6995-12-6- PubChem CID
- 442242
- ChEBI
CHEBI:4983- Nikkaji
- J15.474A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 743
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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