| 2D Structure | |
| CID | 61953 |
| Target | CYP2C9 , CYP3A4 , GLI3 , NR1I2 |
| IUPAC Name | 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene |
| InChI | InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3 |
| InChI Key | GYUZHTWCNKINPY-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCC2(O1)C(=CCCC2(C)C)C |
| Isomeric SMILES | CC1CCC2(O1)C(=CCCC2(C)C)C |
| Molecular Formula | C13H22O |
| Molecular Weight | 194.31 |
| synonyms | ['Theaspirane', '2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene', '36431-72-8', '1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-', '2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene', 'FEMA No. 3774', 'DTXSID3047055', 'CHEBI:89598', '2,6,10,10-Tetramethyl-1-oxaspiro(4.5)dec-6-ene', 'EINECS 253-031-9', '1-Oxaspiro-2,6,10,10-tetramethyl(4.5)dec-6-ene', 'DTXCID1027055', 'FEMA 3774', '7371A7GT6E', '1-Oxaspiro(4.5)dec-6-ene, 2,6,10,10-tetramethyl-', '2,6,6,10-tetramethyl-1-oxaspiro(4.5)dec-9-ene', '1-Oxaspiro-(4,5)-2,6,10,10-tetramethyl-6-decene', '1-Oxaspiro-[4,5]-2,6,10,10-tetramethyl-6-decene', '1-oxaspiro-2,6,10,10-tetramethyl[4.5]dec-6-ene', 'THEASPIRANE [FHFI]', '(+-)-THEASPIRANE', '1-Oxaspiro4.5dec-6-ene, 2,6,10,10-tetramethyl-', '253-031-9', '169102-88-9', 'theaspirane Is I', '(+/-)-Theaspirane', 'cis-Theaspirane', 'Theaspirane A', 'Theaspirane B', 'theaspirane, I', 'theaspirane, II', 'theaspirane Is II', 'UNII-7371A7GT6E', 'MFCD00085214', 'Theaspirane (Isomer 1)', 'Theaspirane (Isomer 2)', '6,9-Epoxy-4-megastigmene', 'SCHEMBL140967', '90% +(GC)(isomers mixture)', 'CHEMBL3185445', 'Tox21_302289', 'AKOS015902001', 'CS-W010641', 'DS-3982', 'NCGC00256059-01', 'CAS-36431-72-8', 'DB-003238', 'NS00013236', '2,6,10,10-tetramethyl-oxa-spiro-dec-6-ene', '(+/-)-Theaspirane, technical, >=90% (GC)', 'D70274', '2,6,10,10-Tetramethyl-1-oxa-spiro[4.5]dec-6-ene', 'Q27161796', '2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene, 9CI', '2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene, mixture of isomers'] |
From Pubchem