Basic information
- CAS
66550-09-2- Standard SMILES
C=C1C2CC[C@H](C=O)C(O)(C=O)[C@@]2(C)CC[C@@H]1C- InChIKey
CJPOKXPNUYKFFE-RRBPUZQUSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- (2S,6S,8aS)-1-hydroxy-6,8a-dimethyl-5-methylene-decalin-1,2-dicarbaldehyde
- IUPAC
- (2S,6S,8aS)-1-hydroxy-6,8a-dimethyl-5-methylidene-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2-dicarbaldehyde
- English name
- Muzigadial
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
(1S,3S,8S,2R)-2-Hydroxy-1,8-dimethyl-7-methylenebicyclo[4.4.0]decane-2,3-dicarbaldehyde(2S,6S,8aS)-1-hydroxy-6,8a-dimethyl-5-methylene-decalin-1,2-dicarbaldehyde(1S)-1,4,4aα,5,6,7,8,8a-Octahydro-1α-hydroxy-6β,8aβ-dimethyl-5-methylene-1,2-naphthalenedicarbaldehyde1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-6,8a-dimethyl-5-methylene-, (1S,4aS,6S,8aS)-
Database identifiers
- CAS
66550-09-2- PubChem CID
- 73254
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 389.4 · 389.4±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.70(Predicted)
Chemistry & industry
Applications
DescriptionMuzigadial is from warburgia ugandensis.
Suppliers3 total
Apin Chemicals Limited (UK)[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: Canellal is a sesquiterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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