| 2D Structure | |
| CID | 6708782 |
| Target | / |
| IUPAC Name | [(4bS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] acetate |
| InChI | InChI=1S/C22H32O2/c1-14(2)20-16-8-11-19-21(4,5)12-7-13-22(19,6)17(16)9-10-18(20)24-15(3)23/h9-10,14,19H,7-8,11-13H2,1-6H3/t19?,22-/m1/s1 |
| InChI Key | ORVBSFQTFRBNRP-AVKWCDSFSA-N |
| Canonical SMILES | CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)OC(=O)C |
| Isomeric SMILES | CC(C)C1=C(C=CC2=C1CCC3[C@@]2(CCCC3(C)C)C)OC(=O)C |
| Molecular Formula | C22H32O2 |
| Molecular Weight | 328.5 |
| synonyms | ['Totarol acetate', '[(4bS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] acetate', 'acetic acid [(4bS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl] ester', 'KBio3_000995', 'Spectrum_000728', 'SpecPlus_000810', 'Spectrum2_000267', 'Spectrum3_000058', 'Spectrum4_001340', 'Spectrum5_000219', 'BSPBio_001815', 'KBioGR_001839', 'KBioSS_001208', 'SPECTRUM100267', 'DivK1c_006906', 'SPBio_000114', 'KBio1_001850', 'KBio2_001208', 'KBio2_003776', 'KBio2_006344', 'CHEBI:110202', 'CCG-39826', 'SDCCGMLS-0066353.P001', 'NCGC00178983-01', 'SR-05000002589', 'SR-05000002589-1', 'BRD-A94366206-001-02-7', 'BRD-A94366206-001-03-5', 'Q27189583'] |
From Pubchem