1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:44 UTC FDB014774 (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione Constituent of Muscari comosum (tassel hyacinth). (3beta,17alpha,23S)-17,23-Epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione is found in herbs and spices. C29H42O5 470.6408 470.303224454 5'-hydroxy-6'-(hydroxymethyl)-2',3,6',11',15'-pentamethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-1'(17'),9'-dien-12'-one 5'-hydroxy-6'-(hydroxymethyl)-2',3,6',11',15'-pentamethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-1'(17'),9'-dien-12'-one CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h8,10,17,21-23,30,32H,7,9,11-16H2,1-6H3 AZFKWPDLOCRQKE-UHFFFAOYSA-N belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton. Oxosteroids Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids Aliphatic heteropolycyclic compounds 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Dialkyl ethers Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans 15-oxosteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Delta-7-steroid Dialkyl ether Ether Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxosteroid Primary alcohol Secondary alcohol Tetrahydrofuran logp 4.88 ALOGPS logs -4.94 ALOGPS solubility 5.38e-03 g/l ALOGPS melting_point Mp 221-224° logp 3.7 ChemAxon pka_strongest_acidic 14.48 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5'-hydroxy-6'-(hydroxymethyl)-2',3,6',11',15'-pentamethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane]-1'(17'),9'-dien-12'-one ChemAxon average_mass 470.6408 ChemAxon mono_mass 470.303224454 ChemAxon smiles CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=CCC5C(C)(CO)C(O)CCC5(C)C4=CCC23C)O1 ChemAxon formula C29H42O5 ChemAxon inchi InChI=1S/C29H42O5/c1-7-20(31)21-14-17(2)29(34-21)15-24(33)28(6)19-8-9-22-25(3,18(19)10-13-27(28,29)5)12-11-23(32)26(22,4)16-30/h8,10,17,21-23,30,32H,7,9,11-16H2,1-6H3 ChemAxon inchikey AZFKWPDLOCRQKE-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 132.65 ChemAxon polarizability 53.74 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23836 Specdb::CMs 44661 Specdb::CMs 131853 Specdb::CMs 139587 Specdb::MsMs 65211 Specdb::MsMs 65212 Specdb::MsMs 65213 Specdb::MsMs 122568 Specdb::MsMs 122569 Specdb::MsMs 122570 Specdb::MsMs 2400387 Specdb::MsMs 2400388 Specdb::MsMs 2400389 Specdb::MsMs 2539190 Specdb::MsMs 2539191 Specdb::MsMs 2539192 HMDB35970 #<Reference:0x000055ce323b0960> Herbs and Spices Unknown generic