4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
Basic information
- CAS
6466-94-0- Standard SMILES
CC1CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1C- InChIKey
TZVDWGXUGGUMCE-UHFFFAOYSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
Baurenol has been reported in Raulinoa echinata, Cichorium spinosum, and other organisms with data available.
Names & identifiers
- Preferred name
- 4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
- IUPAC
- 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
- English name
- D:C-Friedours-7-en-3-ol, (3beta)-
- Molecular formula
- C30H50O
- Molecular weight
- 426.72
Names & synonyms
DTXSID109832794,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-olRefChem:1069317DTXCID301410522IlexolBaurenolD:C-Friedours-7-en-3.beta.-olD:C-Friedours-7-en-3-ol, (3.beta.)-SCHEMBL30404035TZVDWGXUGGUMCE-UHFFFAOYSA-NNSC147745NSC-147745
Show more names
bauerenolNSC 147745D:C-Friedours-7-en-3β-olD:C-Friedours-7-en-3-ol, (3beta)-26-Norurs-7-en-3-ol, 13-methyl-, (3β,13α,14β)-
NS0004674826-Norurs-7-en-3-ol, 13-methyl-, (3b,13a,14b)-4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol #
Database identifiers
- CAS
6466-94-0
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 779
Chemistry & industry
Applications
DescriptionBauerenol is a triterpenoid from Indian Suregada angustifolia, is isolated from the stem bark of Acronychia pedunculata., Induces reactive oxygen species-mediated P38MAPK activation and apoptosis in human hepatocellular carcinoma (HepG2) cells. Bauerenol is an Antitrypanosomal Agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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