1.0 2016-09-30 23:26:49 UTC 2020-04-22 15:18:50 UTC BMDB0006851 BMDB06851 Delta7-Avenasterol 7-Dehydroavenasterol Δ7-Avenasterol (24Z)-24-Ethyl-5alpha-cholesta-7,24(28)-dien-3beta-ol (24Z)-5alpha-Stigmasta-7,24(28)-dien-3beta-ol (Z)-5alpha-Stigmasta-7,24(28)-dien-3beta-ol 24Z-Ethylidenelathosterol 3beta-Hydroxy-5alpha-stigmasta-7,24(28)Z-diene 5alpha-Stigmasta-7,24(28)-dien-3-ol 5alpha-Stigmasta-7,24(28)-dien-3beta-ol 5alpha-Stigmasta-7,Z-24(28)-diene-3.beta-ol Avenasterol Z-24-Ethylidene-5alpha-cholest-7-en-3beta-ol (24Z)-24-Ethyl-5α-cholesta-7,24(28)-dien-3β-ol (24Z)-5α-Stigmasta-7,24(28)-dien-3β-ol (3beta,5alpha,24Z)-Stigmasta-7,24(28)-dien-3-ol (3β,5α,24Z)-Stigmasta-7,24(28)-dien-3-ol (Z)-5α-Stigmasta-7,24(28)-dien-3β-ol 3β-Hydroxy-5α-stigmasta-7,24(28)Z-diene 5alpha-Stigmasta-7,Z-24(28)-diene-3beta-ol 5α-Stigmasta-7,24(28)-dien-3-ol 5α-Stigmasta-7,Z-24(28)-diene-3β-ol Z-24-Ethylidene-5α-cholest-7-en-3β-ol delta7-Avenasterol C29H48O 412.702 412.370516166 (1R,2S,5S,7S,11R,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-9-en-5-ol (1R,2S,5S,7S,11R,14R,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol 23290-26-8 [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 MCWVPSBQQXUCTB-OQTIOYDCSA-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-hydroxysteroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-beta-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid Aliphatic homopolycyclic compounds Stigmasterols and C24-ethyl derivatives Solid logp 7.62 ALOGPS logs -6.65 ALOGPS logp 7.44 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (1R,2S,5S,7S,11R,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-9-en-5-ol ChemAxon average_mass 412.702 ChemAxon mono_mass 412.370516166 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 ChemAxon inchikey MCWVPSBQQXUCTB-OQTIOYDCSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130.62 ChemAxon polarizability 53.66 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::CMs 26431 Specdb::CMs 39120 Specdb::CMs 155006 Specdb::MsMs 324601 Specdb::MsMs 324602 Specdb::MsMs 324603 Specdb::MsMs 373045 Specdb::MsMs 373046 Specdb::MsMs 373047 Specdb::MsMs 2366902 Specdb::MsMs 2366903 Specdb::MsMs 2366904 Specdb::MsMs 2599539 Specdb::MsMs 2599540 Specdb::MsMs 2599541 Specdb::NmrOneD 296695 Specdb::NmrOneD 296696 Specdb::NmrOneD 296697 Specdb::NmrOneD 296698 Specdb::NmrOneD 296699 Specdb::NmrOneD 296700 Specdb::NmrOneD 296701 Specdb::NmrOneD 296702 Specdb::NmrOneD 296703 Specdb::NmrOneD 296704 Specdb::NmrOneD 296705 Specdb::NmrOneD 296706 Specdb::NmrOneD 296707 Specdb::NmrOneD 296708 Specdb::NmrOneD 296709 Specdb::NmrOneD 296710 Specdb::NmrOneD 296711 Specdb::NmrOneD 296712 Specdb::NmrOneD 296713 Specdb::NmrOneD 296714 FDB030685 24850097 12795736 C15782 C00007322 CPD-4125 Avenasterol