1.0 2010-04-08 22:06:27 UTC 2019-11-26 03:00:18 UTC FDB004923 25(27)-Dehydroporiferasterol 25(27)-dehydroporiferasterol belongs to stigmastanes and derivatives class of compounds. Those 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. 25(27)-dehydroporiferasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 25(27)-dehydroporiferasterol can be found in cucumber, muskmelon, and watermelon, which makes 25(27)-dehydroporiferasterol a potential biomarker for the consumption of these food products. C29H46O 410.6749 410.354866094 (2R,5S,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol (2R,5S,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol CC[C@@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=C InChI=1S/C29H46O/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/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24?,25?,26?,27?,28+,29-/m1/s1 ZTJFINKUHDHOSM-SGUOLBJQSA-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. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids 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 Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 7.19 ALOGPS logs -6.51 ALOGPS solubility 1.28e-04 g/l ALOGPS logp 7.13 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2R,5S,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 410.6749 ChemAxon mono_mass 410.354866094 ChemAxon smiles CC[C@@H](\C=C\[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=C ChemAxon formula C29H46O ChemAxon inchi InChI=1S/C29H46O/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/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24?,25?,26?,27?,28+,29-/m1/s1 ChemAxon inchikey ZTJFINKUHDHOSM-SGUOLBJQSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130.66 ChemAxon polarizability 51.95 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81081 Specdb::MsMs 81082 Specdb::MsMs 81083 Specdb::MsMs 142113 Specdb::MsMs 142114 Specdb::MsMs 142115 Specdb::MsMs 3601211 Specdb::MsMs 3601212 Specdb::MsMs 3601213 Specdb::MsMs 3601214 Specdb::MsMs 3601215 Specdb::MsMs 3601216 Cucumber Type 1 specific Cucumis sativus 3659 Muskmelon Type 1 specific Cucumis melo 3656 Watermelon Type 1 specific Citrullus lanatus 3654