Basic information
- CAS
110300-76-0- Standard SMILES
COc1c(C(C)C)cc2c(=O)cc3c(cc2c1O)C=CC(=O)C3(C)C- InChIKey
LKWPNJGNAHHUDE-UHFFFAOYSA-N- Molecular formula
- C21H22O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.15180918
Overview
taxamairin A has been reported in Taxus cuspidata and Taxus wallichiana with data available.
Names & identifiers
- Preferred name
- Taxamairin A
- IUPAC
- 15-hydroxy-14-methoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dione
- English name
- taxamairin A
- Molecular formula
- C21H22O4
- Molecular weight
- 338.4
Names & synonyms
Taxamairin ATaxamairin-A110300-76-0UD9474U6RMDTXSID401492051H-Dibenzo(a,d)cycloheptene-2,10-dione, 6-hydroxy-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-15-hydroxy-14-methoxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dione15-hydroxy-14-methoxy-7,7-dimethyl-13-propan-2-yltricyclo(9.4.0.03,8)pentadeca-1(15),2,4,8,11,13-hexaene-6,10-dioneRefChem:187559DTXCID3071696UNII-UD9474U6RMSCHEMBL29378942
Show more names
1-hydroxy-2-methoxy-7,7-dimethyl-3-propan-2-yldibenzo[2,4-d:4',5'-e][7]annulene-5,8-dione1H-Dibenzo[a,d]cycloheptene-2,10-dione, 6-hydroxy-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-
SCHEMBL30726721NS00123194Q170371476-Hydroxy-7-methoxy-1,1-dimethyl-8-(propan-2-yl)-1H-dibenzo[a,d][7]annulene-2,10-dione1H-Dibenzo(a,d)cycloheptene-2,10-dione, 6-hydroxy-7-methyoxy-1,1-dimethyl-8-(1-methylethyl)-6-HYDROXY-7-METHOXY-1,1-DIMETHYL-8-(1-METHYLETHYL)-1H-DIBENZO(A,D)CYCLOHEPTENE-2,10-DIONE
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 680
Physicochemical properties
- Melting point
- 223 · 223-224 °C(Solv: ethanol (64-17-5))
- Boiling point
- 599.8 · 599.8±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 7.96 · 7.96±0.40(Predicted)
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- FDA UNII
- 9474 U6RM · UD9474U6RM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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