1-Desoxyhypnophilin
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Basic information
- CAS
160492-64-8- Standard SMILES
C=C1C(=O)[C@H]2O[C@]23C[C@H]2CC(C)(C)C[C@H]2[C@]13C- InChIKey
QGOYASWEWJQUBT-DTFMEENKSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Overview
1-Desoxyhypnophilin is a sesquiterpenoid.
Names & identifiers
- Preferred name
- 1-Desoxyhypnophilin
- IUPAC
- (1S,3R,7R,8R,11S)-5,5,8-trimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecan-10-one
- English name
- 1-desoxyhypnophilin
- Molecular formula
- C15H20O2
- Molecular weight
- 232.32
Names & synonyms
1-Desoxyhypnophilin1-Desoxy-hypnophilin160492-64-8(1S,3R,7R,8R,11S)-5,5,8-trimethyl-9-methylidene-12-oxatetracyclo[6.4.0.01,11.03,7]dodecan-10-oneCyclopenta(4,5)pentaleno(1,6a-b)oxiren-2(1aH)-one, octahydro-3a,5,5-trimethyl-3-methylene-, (1aS-(1aalpha,3abeta,3balpha,6aalpha,7aR*))-(1S,3R,7R,8R,11S)-5,5,8-trimethyl-9-methylidene-12-oxatetracyclo(6.4.0.01,11.03,7)dodecan-10-oneRefChem:907577DesoxyhypnophilinCHEMBL447608DTXSID30936323CHEBI:2217893a,5,5-Trimethyl-3-methylideneoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one
Show more names
Cyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-one, octahydro-3a,5,5-trimethyl-3-methylene-, [1aS-(1aα,3aβ,3bα,6aα,7aR*)]- (9CI)
(1aS,3aR,3bR,6aR,7aS)-3a,5,5-trimethyl-3-methylideneoctahydrocyclopenta[4,5]pentaleno[1,6a-b]oxiren-2(1aH)-oneInChI=1/C15H20O2/c1-8-11(16)12-15(17-12)6-9-5-13(2,3)7-10(9)14(8,15)4/h9-10,12H,1,5-7H2,2-4H3/t9-,10-,12-,14+,15-/m1/s
Database identifiers
- CAS
160492-64-8- PubChem CID
- 190953
- DTXSID
DTXSID30936323- ChEMBL
CHEMBL447608- ChEBI
CHEBI:221789- Nikkaji
- J614.864F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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