1.0 2016-09-30 22:45:42 UTC 2020-04-22 15:08:07 UTC BMDB0001421 BMDB01421 4,4-Dimethyl-14a-formyl-5a-cholesta-8,24-dien-3b-ol 4,4-Dimethyl-14-alpha-formyl-5-alpha-cholesta-8,24-dien-3-beta-ol 32-Ketolanosterol 32-Oxolanosterol C30H48O2 440.7009 440.36543078 (2S,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-11-carbaldehyde (2S,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-11-carbaldehyde [H][C@@]1(CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)[C@H](C)CCC=C(C)C InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25?,26+,28-,29-,30-/m1/s1 PGGIMLIQOHYFIS-DHVLVQQASA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids 3-beta-hydroxysteroids Aldehydes Cyclic alcohols and derivatives Hydrocarbon derivatives Organic oxides Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aldehyde Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid Aliphatic homopolycyclic compounds Solid logp 6.74 ALOGPS logs -5.57 ALOGPS logp 6.74 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (2S,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-ene-11-carbaldehyde ChemAxon average_mass 440.7009 ChemAxon mono_mass 440.36543078 ChemAxon smiles [H][C@@]1(CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)[C@H](C)CCC=C(C)C ChemAxon formula C30H48O2 ChemAxon inchi InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25?,26+,28-,29-,30-/m1/s1 ChemAxon inchikey PGGIMLIQOHYFIS-DHVLVQQASA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 135.34 ChemAxon polarizability 55.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 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 11212 Specdb::CMs 38066 Specdb::CMs 167410 Specdb::MsMs 290767 Specdb::MsMs 290768 Specdb::MsMs 290769 Specdb::MsMs 330511 Specdb::MsMs 330512 Specdb::MsMs 330513 Specdb::MsMs 3059059 Specdb::MsMs 3059060 Specdb::MsMs 3059061 Specdb::MsMs 3108558 Specdb::MsMs 3108559 Specdb::MsMs 3108560 117524 133187 FDB022612 6233