1.0 2010-04-08 22:14:55 UTC 2025-11-19 02:29:27 UTC FDB020291 Sanguisorbin B Constituent of burnet bloodwort (Sanguisorba officinalis). Sanguisorbin B is found in herbs and spices. Sanguisorbin B C35H56O7 588.8149 588.402604146 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 32180-34-0 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(O)=O InChI=1S/C35H56O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40) GZQIINDHMUJEAM-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 Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Triterpenoid logp 5.31 ALOGPS logs -5.16 ALOGPS solubility 4.07e-03 g/l ALOGPS melting_point Mp 266-267° logp 5.44 ChemAxon pka_strongest_acidic 4.74 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 1,2,6a,6b,9,9,12a-heptamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-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 588.8149 ChemAxon mono_mass 588.402604146 ChemAxon smiles CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(O)=O ChemAxon formula C35H56O7 ChemAxon inchi InChI=1S/C35H56O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19-20,22-29,36-38H,9-18H2,1-7H3,(H,39,40) ChemAxon inchikey GZQIINDHMUJEAM-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 160.15 ChemAxon polarizability 68.25 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 309205 Specdb::MsMs 309206 Specdb::MsMs 309207 Specdb::MsMs 353566 Specdb::MsMs 353567 Specdb::MsMs 353568 Specdb::MsMs 2405009 Specdb::MsMs 2405010 Specdb::MsMs 2405011 Specdb::MsMs 2530473 Specdb::MsMs 2530474 Specdb::MsMs 2530475 Specdb::CMs 19438 Specdb::CMs 46813 Specdb::CMs 282826 Specdb::CMs 414351 Specdb::CMs 414352 Specdb::CMs 414353 Specdb::CMs 414354 Specdb::CMs 414355 Specdb::CMs 414356 Specdb::CMs 414357 Specdb::CMs 414358 Specdb::CMs 414359 Specdb::CMs 414360 Specdb::CMs 414361 Specdb::CMs 414362 Specdb::CMs 414363 Specdb::CMs 414364 Specdb::CMs 414365 Specdb::CMs 414366 Specdb::CMs 414367 Specdb::CMs 414368 Specdb::CMs 414369 Specdb::CMs 414370 Specdb::CMs 414371 Specdb::CMs 414372 HMDB40524 #<Reference:0x000055ce300aa6f0> Herbs and Spices Unknown generic