1.0 2010-04-08 22:13:03 UTC 2019-11-26 03:14:46 UTC FDB017387 Jangomolide Constituent of Flacourtia jangomas (paniala) and Limonia acidissima (wood apple). Jangomolide is found in herbs and spices, beverages, and fruits. Acidissimin? C26H28O8 468.4957 468.178417872 (2S,7R,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-6,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docos-3-ene-5,12,17-trione (2S,7R,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-6,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docos-3-ene-5,12,17-trione 93767-25-0 [H][C@]12OC(C)(C)C3CC(=O)[C@]4(C)C(CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@@]456)C4=COC=C4)[C@]13C=CC(=O)O2 InChI=1S/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3/t14?,15?,18-,19+,21-,23-,24-,25-,26+/m0/s1 ZYPFSBYGJYBBBK-GLEICTKYSA-N belongs to the class of organic compounds known as steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton. Steroid lactones Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Aromatic heteropolycyclic compounds 1,4-dioxepanes 11-oxosteroids Acetals Delta valerolactones Dialkyl ethers Dicarboxylic acids and derivatives Dihydropyranones Enoate esters Epoxides Furans Furopyrans Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Tetrahydrofurans 1,4-dioxepane 11-oxosteroid 2-oxosteroid Acetal Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Dialkyl ether Dicarboxylic acid or derivatives Dihydropyranone Dioxepane Enoate ester Ether Furan Furopyran Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Oxosteroid Pyran Steroid lactone Tetrahydrofuran logp 3.60 ALOGPS logs -3.98 ALOGPS solubility 4.92e-02 g/l ALOGPS melting_point Mp 282-288° logp 3.4 ChemAxon pka_strongest_acidic 17.28 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2S,7R,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-6,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docos-3-ene-5,12,17-trione ChemAxon average_mass 468.4957 ChemAxon mono_mass 468.178417872 ChemAxon smiles [H][C@]12OC(C)(C)C3CC(=O)[C@]4(C)C(CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@@]456)C4=COC=C4)[C@]13C=CC(=O)O2 ChemAxon formula C26H28O8 ChemAxon inchi InChI=1S/C26H28O8/c1-22(2)15-11-16(27)24(4)14(25(15)9-6-17(28)31-21(25)34-22)5-8-23(3)18(13-7-10-30-12-13)32-20(29)19-26(23,24)33-19/h6-7,9-10,12,14-15,18-19,21H,5,8,11H2,1-4H3/t14?,15?,18-,19+,21-,23-,24-,25-,26+/m0/s1 ChemAxon inchikey ZYPFSBYGJYBBBK-GLEICTKYSA-N ChemAxon polar_surface_area 104.57 ChemAxon refractivity 115.48 ChemAxon polarizability 46.76 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15793 Specdb::CMs 131129 Specdb::CMs 138863 Specdb::MsMs 61521 Specdb::MsMs 61522 Specdb::MsMs 61523 Specdb::MsMs 118068 Specdb::MsMs 118069 Specdb::MsMs 118070 Specdb::MsMs 2325046 Specdb::MsMs 2325047 Specdb::MsMs 2325048 Specdb::MsMs 2610176 Specdb::MsMs 2610177 Specdb::MsMs 2610178 HMDB38158 #<Reference:0x000055ce32df34e0> Beverages Unknown generic Fruits Unknown generic Herbs and Spices Unknown generic