1.0 2016-09-30 22:34:16 UTC 2020-04-22 15:04:36 UTC BMDB0000649 BMDB00649 Clionasterol (3beta,24S)-Stigmast-5-en-3-ol 22,23-Dihydroporiferasterol 24-Ethylcholest-5-en-3 beta-ol 24beta-Ethyl-5-cholesten-3beta-ol 24beta-Ethylcholesterol 24S-Ethylcholest-5-en-3beta-ol beta-Dihydrofucosterol gamma-Sitosterol Poriferast-5-en-3beta-ol (3b,24S)-Stigmast-5-en-3-ol (3Β,24S)-stigmast-5-en-3-ol 24-Ethylcholest-5-en-3 b-ol 24-Ethylcholest-5-en-3 β-ol 24b-Ethyl-5-cholesten-3b-ol 24Β-ethyl-5-cholesten-3β-ol 24b-Ethylcholesterol 24Β-ethylcholesterol 24S-Ethylcholest-5-en-3b-ol 24S-Ethylcholest-5-en-3β-ol b-Dihydrofucosterol Β-dihydrofucosterol g-Sitosterol Γ-sitosterol Poriferast-5-en-3b-ol Poriferast-5-en-3β-ol 24b-Ethylcholest-5-en-3b-ol 24-Ethylcholesterol 3beta-Stigmast-5-en-3-ol Sitosterol Sitosterol, (3beta,24xi)-isomer Sitosterol, 26-(14)C-labeled 3beta-Sitosterol Harzol beta-Sitosterol Sitosterol, (3beta)-isomer C29H50O 414.7067 414.386166222 (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol 83-47-6 [H][C@@]12CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 KZJWDPNRJALLNS-FBZNIEFRSA-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 Stigmasterols and C24-ethyl derivatives Solid melting_point 147 °C logp 7.27 ALOGPS logs -7.35 ALOGPS logp 7.84 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol ChemAxon average_mass 414.7067 ChemAxon mono_mass 414.386166222 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C ChemAxon formula C29H50O ChemAxon inchi InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1 ChemAxon inchikey KZJWDPNRJALLNS-FBZNIEFRSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 129.77 ChemAxon polarizability 54.39 ChemAxon rotatable_bond_count 6 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 303562 Specdb::MsMs 303563 Specdb::MsMs 303564 Specdb::MsMs 346543 Specdb::MsMs 346544 Specdb::MsMs 346545 Specdb::MsMs 2738368 Specdb::MsMs 2738369 Specdb::MsMs 2738370 Specdb::MsMs 2971263 Specdb::MsMs 2971264 Specdb::MsMs 2971265 Specdb::CMs 16982 Specdb::CMs 37673 Specdb::CMs 132308 Specdb::CMs 140042 Specdb::CMs 1071615 FDB112200 457801 402901 132823 C19654 C00023769 5621 Kind, C. Albert; Bergmann, Werner. Marine products. X. Clionasterol. Journal of Organic Chemistry (1942), 7 341-5.