1.0 2016-09-30 22:54:46 UTC 2020-04-22 15:10:51 UTC BMDB0002374 BMDB02374 Avenasterol (24Z)-24-Ethylcholesta-5,24(28)-dien-3beta-ol (24Z)-Ethylidenecholesterol (3beta)-Stigmasta-5,24(28)-dien-3-ol (3beta,24Z)-Stigmasta-5,24(28)-dien-3-ol (Z)-24-Ethylcholesta-5,24(28)-dien-3beta-ol (Z)-24-Ethylidenecholesterol (Z)-Stigmasta-5,24(28)-dien-3beta-ol 24Z-Ethylidene-cholest-5-en-3beta-ol 28-Isofucosterol Delta(5)-Avenasterol delta5-Avenasterol (24Z)-24-Ethylcholesta-5,24(28)-dien-3b-ol (24Z)-24-Ethylcholesta-5,24(28)-dien-3β-ol (3b)-Stigmasta-5,24(28)-dien-3-ol (3Β)-stigmasta-5,24(28)-dien-3-ol (3b,24Z)-Stigmasta-5,24(28)-dien-3-ol (3Β,24Z)-stigmasta-5,24(28)-dien-3-ol (Z)-24-Ethylcholesta-5,24(28)-dien-3b-ol (Z)-24-Ethylcholesta-5,24(28)-dien-3β-ol (Z)-Stigmasta-5,24(28)-dien-3b-ol (Z)-Stigmasta-5,24(28)-dien-3β-ol 24Z-Ethylidene-cholest-5-en-3b-ol 24Z-Ethylidene-cholest-5-en-3β-ol Δ(5)-avenasterol Δ5-avenasterol (24Z)-Stigmasta-5,24(28)-dien-3-ol (3.beta.,24Z)-stigmasta-5,24(28)-dien-3-ol 29-Isofucosterol Fucosterol Isofucosterol 24Z-Ethylidenecholest-5-en-3b-ol Fucosterol, 28-(14)C-labeled CPD, (e)-isomer Stigmasta-5,24-dien-3 beta-ol 24-Isoethylidenecholest-5-en-3 beta-ol,delta(5)-avenasterol Fucosterol, (3beta)-isomer (24E)-24-N-Propylidenecholesterol 24(Z)-Ethylidenecholest-5-en-3beta-ol 24(Z)-Ethylidenecholest-5-en-3β-ol 24-Ethylcholesta-5,24(28)Z-dien-3beta-ol 24-Ethylcholesta-5,24(28)Z-dien-3β-ol Stigmasta-5-cis,24(28)-dien-3beta-ol Stigmasta-5-cis,24(28)-dien-3β-ol C29H48O 412.702 412.370516166 (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol 481-14-1 C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 OSELKOCHBMDKEJ-WGMIZEQOSA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Stigmastanes and derivatives 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids C24-propyl sterols and derivatives Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 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 Aliphatic homopolycyclic compounds 3beta-sterol Stigmasterols and C24-ethyl derivatives Stigmasterols and C24-ethyl derivatives phytosterols stigmastane Solid logp 7.60 ALOGPS logs -6.74 ALOGPS logp 7.44 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol ChemAxon average_mass 412.702 ChemAxon mono_mass 412.370516166 ChemAxon smiles C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ChemAxon formula C29H48O ChemAxon inchi InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 ChemAxon inchikey OSELKOCHBMDKEJ-WGMIZEQOSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130.62 ChemAxon polarizability 53.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 1603 Specdb::CMs 25527 Specdb::CMs 38398 Specdb::CMs 167796 Specdb::MsMs 55713 Specdb::MsMs 55714 Specdb::MsMs 55715 Specdb::MsMs 110922 Specdb::MsMs 110923 Specdb::MsMs 110924 Specdb::MsMs 2818110 Specdb::MsMs 2818111 Specdb::MsMs 2818112 Specdb::MsMs 2887664 Specdb::MsMs 2887665 Specdb::MsMs 2887666 FDB012493 4444703 5281326 28604 C08821 C00003656 CPD-4127 Isofucosterol