Basic information
- CAS
62994-47-2- Standard SMILES
CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@]2(O)C=O- InChIKey
QGMWDUUHVVLHNP-AEGPPILISA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Overview
Warburganal is a tertiary alcohol.
Names & identifiers
- Preferred name
- Warburganal
- IUPAC
- (1S,4aS,8aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde
- English name
- Warburganal
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
Warburganal62994-47-2(1S,4aS,8aS)-1-hydroxy-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1,2-dicarbaldehyde4A48Y1F67HDTXSID20212204RefChem:194760DTXCID80134695(1s,4as,8as)-1-hydroxy-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarbaldehyde1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, (1alpha,4aalpha,8abeta)-AC1L2I6TAC1Q6A4QUNII-4A48Y1F67H
Show more names
1,2-Naphthalenedicarboxaldehyde, 1,4,4a,5,6,7,8,8a-octahydro-1-hydroxy-5,5,8a-trimethyl-, (1S,4aS,8aS)-
WARBURGANAL [MI](-)-WARBURGANALWARBURGANAL, (-)-CHEMBL452492SCHEMBL4244667CHEBI:10032NSC711690NSC-711690
Database identifiers
- CAS
62994-47-2- PubChem CID
- 72502
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 410
Physicochemical properties
- Melting point
- 98 · 98-99°
- alpha
- 21 · D21 -260° (c = 0.350 in CHCl3)
- FDA UNII
- 4 A48Y1F67H · 4A48Y1F67H
Chemistry & industry
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Additional notes
DefinitionChEBI: Warburganal is a tertiary alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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