1.0 2010-04-08 22:09:20 UTC 2019-11-26 03:04:13 UTC FDB010864 3-Epicyclomusalenol Constituent of Musa sapientum (banana). 3-Epicyclomusalenol is found in fruits. 3-Epicyclomusalenol C30H50O 426.7174 426.386166222 15-(5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 15-(5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol 92694-03-6 CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3 QCGMIFBWAQSUQY-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Cycloartanols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cycloartanols and derivatives Aliphatic homopolycyclic compounds 3-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxysteroid 9b,19-cyclo-lanostane-skeleton Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Cycloartane-skeleton Cycloartanol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 5.93 ALOGPS logs -6.64 ALOGPS solubility 9.81e-05 g/l ALOGPS melting_point Mp 121-122° logp 7.51 ChemAxon pka_strongest_acidic 18.89 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 15-(5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC(CCC(C)C(C)=C)C1CCC2(C)C3CCC4C(C)C(O)CCC44CC34CCC12C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3 ChemAxon inchikey QCGMIFBWAQSUQY-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.11 ChemAxon polarizability 55.15 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25211 Specdb::CMs 42771 Specdb::CMs 137933 Specdb::CMs 145667 Specdb::MsMs 12122 Specdb::MsMs 12123 Specdb::MsMs 12124 Specdb::MsMs 18794 Specdb::MsMs 18795 Specdb::MsMs 18796 Specdb::MsMs 2349194 Specdb::MsMs 2349195 Specdb::MsMs 2349196 Specdb::MsMs 2586862 Specdb::MsMs 2586863 Specdb::MsMs 2586864 HMDB32144 #<Reference:0x000055ce32792628> Fruits Unknown generic