1.0 2010-04-08 22:12:14 UTC 2019-11-26 03:12:43 UTC FDB016092 Debenzoylzucchini factor B Constituent of Cucurbita pepo seeds. Debenzoylzucchini factor B is found in fruits. Debenzoylzucchini factor B C37H53NO3 559.8216 559.402544567 11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl 4-aminobenzoate 11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl 4-aminobenzoate 308811-93-0 CC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1 InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3 ZWMUXUKAKHYXMZ-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 Aromatic homopolycyclic compounds Amino acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Primary alcohols Primary amines Alcohol Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aniline or substituted anilines Aromatic homopolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Triterpenoid logp 8.11 ALOGPS logs -6.43 ALOGPS solubility 2.08e-04 g/l ALOGPS logp 7.38 ChemAxon pka_strongest_acidic 18.22 ChemAxon pka_strongest_basic 2.8 ChemAxon iupac 11-(hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicen-3-yl 4-aminobenzoate ChemAxon average_mass 559.8216 ChemAxon mono_mass 559.402544567 ChemAxon smiles CC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1 ChemAxon formula C37H53NO3 ChemAxon inchi InChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3 ChemAxon inchikey ZWMUXUKAKHYXMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 72.55 ChemAxon refractivity 169.05 ChemAxon polarizability 67.94 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13234 Specdb::CMs 45236 Specdb::CMs 281971 Specdb::CMs 343639 Specdb::CMs 343640 Specdb::CMs 343641 Specdb::MsMs 58707 Specdb::MsMs 58708 Specdb::MsMs 58709 Specdb::MsMs 114699 Specdb::MsMs 114700 Specdb::MsMs 114701 Specdb::MsMs 2775362 Specdb::MsMs 2775363 Specdb::MsMs 2775364 Specdb::MsMs 2907345 Specdb::MsMs 2907346 Specdb::MsMs 2907347 HMDB37102 #<Reference:0x000055ce31f24f68> Fruits Unknown generic