1.0 2010-04-08 22:10:57 UTC 2025-11-19 00:37:39 UTC FDB013870 (3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one Aglycone from Muscari comosum (tassel hyacinth). (3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one is found in herbs and spices. C29H46O5 474.6725 474.334524582 1-[5'-hydroxy-6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5-yl]propan-1-one 1-[5'-hydroxy-6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5-yl]propan-1-one CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1 InChI=1S/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3 PGCCXLDWXXFVMP-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-hydroxysteroids Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Dialkyl ether Ether Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol Steroid Tetrahydrofuran Triterpenoid logp 3.95 ALOGPS logs -4.84 ALOGPS solubility 6.79e-03 g/l ALOGPS logp 3.29 ChemAxon pka_strongest_acidic 14.3 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-[5'-hydroxy-6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5-yl]propan-1-one ChemAxon average_mass 474.6725 ChemAxon mono_mass 474.334524582 ChemAxon smiles CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1 ChemAxon formula C29H46O5 ChemAxon inchi InChI=1S/C29H46O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-24,30-31,33H,6-17H2,1-5H3 ChemAxon inchikey PGCCXLDWXXFVMP-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 132.77 ChemAxon polarizability 55.61 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17344 Specdb::CMs 44261 Specdb::CMs 149400 Specdb::MsMs 67419 Specdb::MsMs 67420 Specdb::MsMs 67421 Specdb::MsMs 125232 Specdb::MsMs 125233 Specdb::MsMs 125234 Specdb::MsMs 2689952 Specdb::MsMs 2689953 Specdb::MsMs 2689954 Specdb::MsMs 2989571 Specdb::MsMs 2989572 Specdb::MsMs 2989573 HMDB35221 Herbs and Spices Unknown generic