1.0 2010-04-08 22:05:08 UTC 2025-11-18 22:33:15 UTC FDB001851 ent-Cassa-12,15-diene Ent-cassa-12,15-diene is a member of the class of compounds known as isocopalane and spongiane diterpenoids. Isocopalane and spongiane diterpenoids are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton. Thus, ent-cassa-12,15-diene is considered to be an isoprenoid lipid molecule. Ent-cassa-12,15-diene can be found in rice, which makes ent-cassa-12,15-diene a potential biomarker for the consumption of this food product. (-)-ent-Cassa-12,15-diene C20H32 272.4681 272.250401024 (4aS,4bR,8S,8aR,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthrene ent-cassa-12,15-diene 664996-03-6 C[C@H]1[C@H]2CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC=C1C=C InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1 JQPDOKGAOXSRJD-SVEODPQUSA-N belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton. Isocopalane and spongiane diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Hydrophenanthrenes Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Cyclic olefin Hydrocarbon Hydrophenanthrene Isocopalane diterpenoid Olefin Phenanthrene Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Podocarpane diterpenoids diterpene logp 6.04 ALOGPS logs -6.43 ALOGPS solubility 1.00e-04 g/l ALOGPS logp 5.86 ChemAxon iupac (4aS,4bR,8S,8aR,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydrophenanthrene ChemAxon average_mass 272.4681 ChemAxon mono_mass 272.250401024 ChemAxon smiles C[C@H]1[C@H]2CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC=C1C=C ChemAxon formula C20H32 ChemAxon inchi InChI=1S/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3/t14-,16-,17-,18-,20+/m1/s1 ChemAxon inchikey JQPDOKGAOXSRJD-SVEODPQUSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 88.69 ChemAxon polarizability 34.93 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98733 Specdb::MsMs 98734 Specdb::MsMs 98735 Specdb::MsMs 163716 Specdb::MsMs 163717 Specdb::MsMs 163718 Specdb::MsMs 3598762 Specdb::MsMs 3598763 Specdb::MsMs 3598764 Specdb::MsMs 3598765 Specdb::MsMs 3598766 Specdb::MsMs 3598767 Rice Type 1 specific Oryza sativa 4530