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2D Structure
Also known as: Hydroabietyl alcohol, Dihydroabietyl alcohol, Abietyl alcohol, dihydro-, 26266-77-3, 6770b58n0v, Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanol
Molecular Formula
C20H34O
Molecular Weight
290.5  g/mol
InChI Key
FLMIYUXOBAUKJM-IUHBKHCYSA-N
FDA UNII
6770B58N0V

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methanol
2.1.2 InChI
InChI=1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3/t15?,17-,18-,19-,20+/m0/s1
2.1.3 InChI Key
FLMIYUXOBAUKJM-IUHBKHCYSA-N
2.1.4 Canonical SMILES
CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)CO)C
2.1.5 Isomeric SMILES
CC(C)C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C
2.2 Other Identifiers
2.2.1 UNII
6770B58N0V
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Abitol

2. Dihydroabietyl Alcohol

2.3.2 Depositor-Supplied Synonyms

1. Hydroabietyl Alcohol

2. Dihydroabietyl Alcohol

3. Abietyl Alcohol, Dihydro-

4. 26266-77-3

5. 6770b58n0v

6. Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanol

7. 1-phenanthrenemethanol, Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-

8. [(1r,4ar,4bs,10ar)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methanol

9. 1-phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1r,4ar,4bs,10ar)-

10. 1-phenanthrenemethanol,dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-

11. Unii-6770b58n0v

12. Einecs 247-574-0

13. Dtxsid6051936

14. Hydroabietyl Alcohol [inci]

15. Q27264084

16. (1r-(1alpha,4abeta,4balpha,10aalpha))-dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol

17. [(1r,4ar,4bs,10ar)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl]methanol

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 290.5 g/mol
Molecular Formula C20H34O
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass290.260965704 g/mol
Monoisotopic Mass290.260965704 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity424
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1