Basic information
- CAS
114763-51-8- Standard SMILES
C/C1=C\[C@@H]2O[C@@]3(C=CC(C)(C)O3)[C@H](C)[C@H]2CC/C(C)=C/CC1- InChIKey
SKBMVFLRYDINQT-ZTPOLTEHSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
Asperketal B has been reported in Gorgoniidae, Eunicea asperula, and Eunicea with data available.
Names & identifiers
- Preferred name
- Asperketal B
- IUPAC
- (2R,3R,3aR,6E,10E,11aR)-3,5',5',6,10-pentamethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,2'-furan]
- English name
- asperketal B
- Molecular formula
- C20H30O2
- Molecular weight
- 302.45
Names & synonyms
Asperketal B114763-51-83,7,11-Trimethyl-13-oxabicyclo(8.3.0)trideca-2,6-diene-12-spiro-2'-(5',5'-dimethyltetrahydrofuran)(2R,3R,3aR,6E,10E,11aR)-3,5',5',6,10-pentamethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,2'-furan]Spiro(cyclodeca(b)furan-2(3H),2'(5'H)-furan), 3a,4,5,8,9,11a-hexahydro-3,5',5',6,10-pentamethyl-, (2R*,3R*,3aR*,6E,10E,11aR*)-Spiro[cyclodeca[b]furan-2(3H),2'(5'H)-furan], 3a,4,5,8,9,11a-hexahydro-3,5',5',6,10-pentamethyl-, (2R,3R,3aR,6E,10E,11aR)-rel- (9CI)
Database identifiers
- CAS
114763-51-8- PubChem CID
- 6444151
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 391.1 · 391.1±42.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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