(1S,2R,6S,7R)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol
PubChem CID: 14038123
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| Compound Synonyms | 11-Apollanol, 0WRO7RKA47, 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer, (1S,2R,6S,7R)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol, (1R,2S,6R,7S,11S)-1,4,4,7-Tetramethyltricyclo(5.3.1.0,2,6)undecan-11-ol, 28296-94-8, Apollanol, alpha-Caryophyllenalkohol, UNII-0WRO7RKA47, Decahydro-2,2,4,8-tetramethyl-4,8-methanoazulen-9-ol, stereoisomer, 1,2,3,3aalpha,4,5,6,7,8,8aalpha-Decahydro-2,2,4beta,8beta-tetramethyl-4,8-methanoazulen-9-ol, 4,8-Methanoazulen-9-ol, 1,2,3,3aalpha,4,5,6,7,8,8aalpha-decahydro-2,2,4beta,8beta-tetramethyl-, Decahydro-2,2,4,8-tetramethyl-4,8-methanoazulen-9-ol, 9CI |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | MJYUBUQHKCAJQR-YABAYLBRSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | &alpha, -caryophyllene alcohol, &alpha, -caryophyllenol, 11-Apollanol, alpha-Caryophyllene alcohol, alpha-Caryophyllenol, Apollanol, Decahydro-2,2,4,8-tetramethyl-4,8-methanoazulen-9-ol, 9CI |
| Heavy Atom Count | 16.0 |
| Compound Name | (1S,2R,6S,7R)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol |
| Description | Constituent of Cedrus atlantica. Flavouring ingredient either alone or together with ib-Caryophyllene alcohol <ht>KMG74-M</ht>, with a slightly minty, earthy flavour. alpha-Caryophyllene alcohol is found in allspice and pepper (spice). |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,6S,7R)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,14+,15- |
| Smiles | C[C@@]12CCC[C@@](C1O)([C@@H]3[C@H]2CC(C3)(C)C)C |
| Xlogp | 4.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26O |
- 1. Outgoing r'ship
FOUND_INto/from Pimenta Dioica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all