1.0 2010-04-08 22:10:06 UTC 2019-11-26 03:06:34 UTC FDB012315 29-Methylisofucosterol Constituent of the edible scallop Trochostoma orientale. 29-Methylisofucosterol is found in mollusks. 24-Propylidene-(3beta,24Z)-cholest-5-en-3-ol 24-Propylidenecholest-5-en-3beta-ol 29-Methylisofucosterol Cholest-5-en-3-ol, 24-propylidene-, (3beta,24Z)- C30H50O 426.7174 426.386166222 2,15-dimethyl-14-[(5Z)-5-(propan-2-yl)oct-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 14-[(5Z)-5-isopropyloct-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 35339-71-0 CC\C=C(\CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8- LVMOSMRIAUDGQC-UYOCIXKTSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic homopolycyclic compounds 3-hydroxy delta-5-steroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound C24-propyl-sterol-skeleton Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 7.84 ALOGPS logs -6.87 ALOGPS solubility 5.72e-05 g/l ALOGPS melting_point Mp 111-112° logp 7.88 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac 2,15-dimethyl-14-[(5Z)-5-(propan-2-yl)oct-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC\C=C(\CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8- ChemAxon inchikey LVMOSMRIAUDGQC-UYOCIXKTSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 135.22 ChemAxon polarizability 55.22 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11483 Specdb::CMs 43684 Specdb::CMs 152634 Specdb::MsMs 57906 Specdb::MsMs 57907 Specdb::MsMs 57908 Specdb::MsMs 113715 Specdb::MsMs 113716 Specdb::MsMs 113717 Specdb::MsMs 2321941 Specdb::MsMs 2321942 Specdb::MsMs 2321943 Specdb::MsMs 2613556 Specdb::MsMs 2613557 Specdb::MsMs 2613558 HMDB34066 #<Reference:0x000055ce2f449f28> Mollusks Unknown generic 6447