Basic information
- CAS
33530-71-1- Standard SMILES
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CCCC(=C)[C@]21O- InChIKey
NCECWMQYVUVUKL-VIRABCJISA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
Arbusculin C has been reported in Artemisia with data available.
Names & identifiers
- Preferred name
- Arbusculin C
- IUPAC
- (3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Names & synonyms
Arbusculin C33530-71-1NSC 180033(3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one(3aS,5aR,9aR,9bS)-9a-hydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo(g)(1)benzofuran-2-oneRefChem:113745(3aS)-3abeta,4,5,5a,6,7,8,9,9a,9balpha-Decahydro-9abeta-hydroxy-5aalpha-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
Database identifiers
- CAS
33530-71-1- PubChem CID
- 174872
- Nikkaji
- J19.233C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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