1.0 2010-04-08 22:09:20 UTC 2019-11-26 03:04:12 UTC FDB010863 28-Norcyclomusalenone Constituent of Musa sapientum (banana). 28-Norcyclomusalenone is found in fruits. 14-Methyl-9,19-cycloergost-25-en-3-one 28-Norcyclomusalenone C29H46O 410.6749 410.354866094 15-(5,6-dimethylhept-6-en-2-yl)-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one 15-(5,6-dimethylhept-6-en-2-yl)-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one 207850-21-3 CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4CC(=O)CCC44CC34CCC12C InChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-22,24-25H,1,7-18H2,2-6H3 UWHKELQKZGZXIE-UHFFFAOYSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-oxosteroids Cyclic ketones Hydrocarbon derivatives Organic oxides 3-oxosteroid Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Ergosterol-skeleton Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid logp 6.17 ALOGPS logs -6.43 ALOGPS solubility 1.53e-04 g/l ALOGPS logp 7.36 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 15-(5,6-dimethylhept-6-en-2-yl)-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one ChemAxon average_mass 410.6749 ChemAxon mono_mass 410.354866094 ChemAxon smiles CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4CC(=O)CCC44CC34CCC12C ChemAxon formula C29H46O ChemAxon inchi InChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-22,24-25H,1,7-18H2,2-6H3 ChemAxon inchikey UWHKELQKZGZXIE-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 125.61 ChemAxon polarizability 51.52 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23462 Specdb::CMs 174329 Specdb::MsMs 93291 Specdb::MsMs 93292 Specdb::MsMs 93293 Specdb::MsMs 157032 Specdb::MsMs 157033 Specdb::MsMs 157034 Specdb::MsMs 2406344 Specdb::MsMs 2406345 Specdb::MsMs 2406346 Specdb::MsMs 2529957 Specdb::MsMs 2529958 Specdb::MsMs 2529959 HMDB32882 #<Reference:0x000055ce30483c90> Fruits Unknown generic