1.0 2016-09-30 23:27:37 UTC 2020-04-22 15:19:05 UTC BMDB0006928 BMDB06928 Delta 8,14 -Sterol delta8,14 -Sterol delta8,14-Sterol Δ8,14 -sterol Δ8,14-sterol Δ 8,14 -sterol 4-alpha-Methyl-5-alpha-ergosta-8,14,24(28)-trien-3-beta-ol 4a-Methyl-5a-ergosta-8,14,24(28)-trien-3b-ol 4a-Methylergosta-8,14,24(241)-trien-3b-ol 4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol (3beta,4alpha,5alpha)-4-Methylergosta-8,14,24(28)-trien-3-ol (3β,4α,5α)-4-Methylergosta-8,14,24(28)-trien-3-ol 4alpha-Methylergosta-8,14,24(241)-trien-3beta-ol 4α-Methyl-5α-ergosta-8,14,24(28)-trien-3β-ol 4α-Methylergosta-8,14,24(241)-trien-3β-ol C29H46O 410.6749 410.354866094 (2S,5S,6S,7S,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),11-dien-5-ol (2S,5S,6S,7S,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),11-dien-5-ol 74635-33-9 [H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1 HLAWVOWADPNAGN-BAHZUFOISA-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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Ergosterols and derivatives 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds 3beta-sterol Ergosterols and C24-methyl derivatives Ergosterols and C24-methyl derivatives Solid logp 7.00 ALOGPS logs -5.42 ALOGPS logp 6.97 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,5S,6S,7S,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),11-dien-5-ol ChemAxon average_mass 410.6749 ChemAxon mono_mass 410.354866094 ChemAxon smiles [H][C@@]1(CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC(=C)C(C)C ChemAxon formula C29H46O ChemAxon inchi InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1 ChemAxon inchikey HLAWVOWADPNAGN-BAHZUFOISA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130 ChemAxon polarizability 53.06 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::MsMs 180102 Specdb::MsMs 180103 Specdb::MsMs 180104 Specdb::MsMs 182436 Specdb::MsMs 182437 Specdb::MsMs 182438 Specdb::MsMs 2451679 Specdb::MsMs 2451680 Specdb::MsMs 2451681 Specdb::MsMs 2483146 Specdb::MsMs 2483147 Specdb::MsMs 2483148 Specdb::CMs 13140 Specdb::CMs 39142 Specdb::CMs 150592 FDB011216 391501 C11508 443237 30109 C00007523 ALPHA-METHYL-5-ALPHA-ERGOSTA