Basic information
- CAS
25800-63-9- Standard SMILES
CC(C)C1CCC2C(CCC3C(C)(C(=O)O)CCCC23C)C1- InChIKey
YPGLTKHJEQHKSS-UHFFFAOYSA-N- Molecular formula
- C20H34O2
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.25588032
Overview
See other relationships...
Names & identifiers
- Preferred name
- Tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
- IUPAC
- 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
- English name
- Tetrahydroabietic acid
- Molecular formula
- C20H34O2
- Molecular weight
- 306.48
Names & synonyms
25800-63-9Abietan-18-oic acid7-Isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylic acidEINECS 247-270-8Abietan-18-oic acid #Tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acidSCHEMBL12547269DTXSID50948706NSC2981TetrahydroabieticAcid(Stereoisomer)NSC 2981NSC-2981
Show more names
Abietanic acidTetrahydroabietic acidTetrahydroabietic Acid DISCONTINUED, offer T294470Tetradecahydro-1,4a-dimethyl-7-isopropylphenanthrene-1-carboxylic acid1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-
NS00048398TETRADECAHYDRO-7-ISOPROPYL-1.BETA.,4A.BETA.-DIMETHYLPHENANTHRENE-1-CARBOXYLIC ACID
Database identifiers
- CAS
25800-63-9
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 165 · 165-168 °C
- Boiling point
- 192 · 192-205 °C(Press: 0.3-0.5 Torr)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 4.74 · 4.74±0.60(Predicted)
- FDA UNII
- 8 VVB13908U · 8VVB13908U
Chemistry & industry
Applications
UsesTetrahydroabietic Acid is a rosin derivative, which may possess antifungal activity.
Suppliers3 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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