1.0 2010-04-08 22:10:30 UTC 2019-11-26 03:07:54 UTC FDB013040 Mubenin B Isolated from Eleutherococcus (Acanthopanax) senticosus (Siberian ginseng). Mubenin B is found in tea. Eleutheroside I Mubenin B Raddeanin B C41H66O11 734.9561 734.460512954 10-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 10-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 35790-94-4 CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(O)=O)C3(C)C)C(O)C2O)C(O)C(O)C1O InChI=1S/C41H66O11/c1-21-28(42)30(44)32(46)34(50-21)51-24-20-49-33(31(45)29(24)43)52-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48) AHIONNAGCSGVAB-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acids Disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Disaccharide Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Triterpenoid logp 4.78 ALOGPS logs -4.69 ALOGPS solubility 1.51e-02 g/l ALOGPS melting_point Mp 234-235° logp 4.73 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 10-({3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 734.9561 ChemAxon mono_mass 734.460512954 ChemAxon smiles CC1OC(OC2COC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(O)=O)C3(C)C)C(O)C2O)C(O)C(O)C1O ChemAxon formula C41H66O11 ChemAxon inchi InChI=1S/C41H66O11/c1-21-28(42)30(44)32(46)34(50-21)51-24-20-49-33(31(45)29(24)43)52-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48) ChemAxon inchikey AHIONNAGCSGVAB-UHFFFAOYSA-N ChemAxon polar_surface_area 175.37 ChemAxon refractivity 190.94 ChemAxon polarizability 83.44 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72741 Specdb::MsMs 72742 Specdb::MsMs 72743 Specdb::MsMs 131733 Specdb::MsMs 131734 Specdb::MsMs 131735 Specdb::MsMs 2457626 Specdb::MsMs 2457627 Specdb::MsMs 2457628 Specdb::MsMs 2480629 Specdb::MsMs 2480630 Specdb::MsMs 2480631 Specdb::CMs 767254 Specdb::CMs 767255 Specdb::CMs 767256 Specdb::CMs 767257 Specdb::CMs 767258 Specdb::CMs 767259 Specdb::CMs 767260 Specdb::CMs 767261 Specdb::CMs 767262 Specdb::CMs 767263 Specdb::CMs 767264 Specdb::CMs 767265 Specdb::CMs 767266 Specdb::CMs 767267 Specdb::CMs 767268 Specdb::CMs 767269 Specdb::CMs 767270 Specdb::CMs 767271 Specdb::CMs 767272 Specdb::CMs 767273 Specdb::CMs 767274 Specdb::CMs 767275 Specdb::CMs 767276 Specdb::CMs 767277 Specdb::CMs 767278 HMDB34538 #<Reference:0x000055ce31c3a2d0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442