1.0 2010-04-08 22:11:22 UTC 2019-11-26 03:10:29 UTC FDB014619 (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione Constituent of Muscari comosum (tassel hyacinth). (23S,24S)-17,23-Epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione is found in herbs and spices. C29H44O5 472.6567 472.318874518 6'-(hydroxymethyl)-5-(1-hydroxypropyl)-2',3,6',11',15'-pentamethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-ene-5',12'-dione 6'-(hydroxymethyl)-5-(1-hydroxypropyl)-2',3,6',11',15'-pentamethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-ene-5',12'-dione CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1 InChI=1S/C29H44O5/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/h17,20-22,30-31H,7-16H2,1-6H3 IPZHIWYVRSTEKX-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 3-oxosteroids Cyclic ketones Dialkyl ethers Hydrocarbon derivatives Hydroxysteroids Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans 15-oxosteroid 24-hydroxysteroid 3-oxosteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxosteroid Primary alcohol Secondary alcohol Steroid Tetrahydrofuran Triterpenoid logp 4.11 ALOGPS logs -4.78 ALOGPS solubility 7.89e-03 g/l ALOGPS melting_point Mp 194-195° logp 4.22 ChemAxon pka_strongest_acidic 14.14 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6'-(hydroxymethyl)-5-(1-hydroxypropyl)-2',3,6',11',15'-pentamethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-ene-5',12'-dione ChemAxon average_mass 472.6567 ChemAxon mono_mass 472.318874518 ChemAxon smiles CCC(O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC23C)C2(C)CCC(=O)C(C)(CO)C2CC4)O1 ChemAxon formula C29H44O5 ChemAxon inchi InChI=1S/C29H44O5/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/h17,20-22,30-31H,7-16H2,1-6H3 ChemAxon inchikey IPZHIWYVRSTEKX-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 131.61 ChemAxon polarizability 54.44 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26143 Specdb::CMs 44595 Specdb::CMs 131865 Specdb::CMs 139599 Specdb::MsMs 75594 Specdb::MsMs 75595 Specdb::MsMs 75596 Specdb::MsMs 135264 Specdb::MsMs 135265 Specdb::MsMs 135266 Specdb::MsMs 2699007 Specdb::MsMs 2699008 Specdb::MsMs 2699009 Specdb::MsMs 2983838 Specdb::MsMs 2983839 Specdb::MsMs 2983840 HMDB35843 #<Reference:0x000055ce3184a3c8> Herbs and Spices Unknown generic