1.0 2010-04-08 22:08:32 UTC 2018-05-28 23:23:00 UTC FDB009368 (+/-)-Ethyl 3-hydroxy-2-methylbutyrate It is used as a food additive . C30H48O3 456.7003 456.360345402 (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5E)-7-ethyl-7-hydroxynon-5-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5E)-7-ethyl-7-hydroxynon-5-en-2-yl]-7a-methyl-hexahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol 27372-03-8 CCC(O)(CC)\C=C\CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C InChI=1S/C30H48O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h9,13-14,18,21,25-28,31-33H,4,6-8,10-12,15-17,19-20H2,1-3,5H3/b18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1 DRYSPLCGYOPFPU-CQTNNHDRSA-N belongs to the class of organic compounds known as vitamin d and derivatives. Vitamin D and derivatives are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. Vitamin D and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Tertiary alcohols Triterpenoids Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Tertiary alcohol Triterpenoid logp 6.81 ALOGPS logs -5.11 ALOGPS solubility 3.58e-03 g/l ALOGPS logp 5.63 ChemAxon pka_strongest_acidic 14.39 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,5E)-7-ethyl-7-hydroxynon-5-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol ChemAxon average_mass 456.7003 ChemAxon mono_mass 456.360345402 ChemAxon smiles CCC(O)(CC)\C=C\CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C ChemAxon formula C30H48O3 ChemAxon inchi InChI=1S/C30H48O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h9,13-14,18,21,25-28,31-33H,4,6-8,10-12,15-17,19-20H2,1-3,5H3/b18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1 ChemAxon inchikey DRYSPLCGYOPFPU-CQTNNHDRSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 141.14 ChemAxon polarizability 56.74 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23365 Specdb::CMs 42795 Specdb::CMs 173581 Specdb::MsMs 44079 Specdb::MsMs 44080 Specdb::MsMs 44081 Specdb::MsMs 165969 Specdb::MsMs 165970 Specdb::MsMs 165971 Specdb::MsMs 2384516 Specdb::MsMs 2384517 Specdb::MsMs 2384518 Specdb::MsMs 2577192 Specdb::MsMs 2577193 Specdb::MsMs 2577194 HMDB32256 #<Reference:0x000055ce3062b8e0> fruity green