1.0 2010-04-08 22:05:16 UTC 2019-11-26 02:57:08 UTC FDB002187 Corchoroside B Constituent of Corchorus olitorius (Jew's mallow). Corchoroside B is found in tea, herbs and spices, and green vegetables. Corchoriside b Corchorosid b Corchoroside B C29H42O8 518.639 518.28796832 4-{11-hydroxy-2,15-dimethyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-2,5-dihydrofuran-2-one 4-{11-hydroxy-2,15-dimethyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-5H-furan-2-one 35536-76-6 CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1O InChI=1S/C29H42O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12-13,15,18-21,23-26,31-34H,4-11,14H2,1-3H3 QREPIJRHFLRVPB-UHFFFAOYSA-N belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Steroidal glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 14-hydroxysteroids Acetals Androstane steroids Butenolides Carbonyl compounds Cyclic alcohols and derivatives Delta-4-steroids Enoate esters Hexoses Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Steroid lactones Tertiary alcohols 14-hydroxysteroid 2-furanone Acetal Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Androstane-skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta-4-steroid Dihydrofuran Enoate ester Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Lactone Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Steroid lactone Steroidal glycoside Tertiary alcohol logp 1.81 ALOGPS logs -3.76 ALOGPS solubility 9.05e-02 g/l ALOGPS melting_point Mp 222-224° logp 2.09 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic 0.27 ChemAxon iupac 4-{11-hydroxy-2,15-dimethyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-2,5-dihydrofuran-2-one ChemAxon average_mass 518.639 ChemAxon mono_mass 518.28796832 ChemAxon smiles CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1O ChemAxon formula C29H42O8 ChemAxon inchi InChI=1S/C29H42O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12-13,15,18-21,23-26,31-34H,4-11,14H2,1-3H3 ChemAxon inchikey QREPIJRHFLRVPB-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 135.21 ChemAxon polarizability 57.22 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25246 Specdb::CMs 41877 Specdb::MsMs 8969 Specdb::MsMs 8970 Specdb::MsMs 8971 Specdb::MsMs 13166 Specdb::MsMs 13167 Specdb::MsMs 13168 Specdb::MsMs 15641 Specdb::MsMs 15642 Specdb::MsMs 15643 Specdb::MsMs 19838 Specdb::MsMs 19839 Specdb::MsMs 19840 Specdb::MsMs 2389384 Specdb::MsMs 2389385 Specdb::MsMs 2389386 Specdb::MsMs 2573336 Specdb::MsMs 2573337 Specdb::MsMs 2573338 HMDB30343 #<Reference:0x000055ce323140b0> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442