1.0 2010-04-08 22:12:59 UTC 2019-11-26 03:14:35 UTC FDB017274 Isomultiflorenyl acetate Constituent of Benincasa cerifera (wak gourd). Isomultiflorenyl acetate is found in green vegetables. Isomultiflorenyl acetate C32H52O2 468.7541 468.396730908 (3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-yl acetate (3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl acetate [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3 InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3/t24?,25-,26+,29-,30-,31-,32+/m1/s1 IQPSCJJRYFMIOC-VVFZLFBHSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic homopolycyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 7.61 ALOGPS logs -6.53 ALOGPS solubility 1.37e-04 g/l ALOGPS melting_point Mp 216-217° logp 7.8 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3S,6bS,8aR,12aR,12bS,14bS)-4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicen-3-yl acetate ChemAxon average_mass 468.7541 ChemAxon mono_mass 468.396730908 ChemAxon smiles [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3 ChemAxon formula C32H52O2 ChemAxon inchi InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)22-12-15-32(9)25-20-27(2,3)16-17-29(25,6)18-19-31(32,8)23(22)10-11-24(30)28(26,4)5/h24-26H,10-20H2,1-9H3/t24?,25-,26+,29-,30-,31-,32+/m1/s1 ChemAxon inchikey IQPSCJJRYFMIOC-VVFZLFBHSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 140.79 ChemAxon polarizability 58.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61395 Specdb::MsMs 61396 Specdb::MsMs 61397 Specdb::MsMs 117918 Specdb::MsMs 117919 Specdb::MsMs 117920 Specdb::MsMs 2417341 Specdb::MsMs 2417342 Specdb::MsMs 2417343 Specdb::MsMs 2547919 Specdb::MsMs 2547920 Specdb::MsMs 2547921 Specdb::CMs 17926 Specdb::CMs 134493 Specdb::CMs 142227 HMDB38062 #<Reference:0x000055ce3335caa8> Green vegetables Unknown generic