1.0 2016-06-03 10:24:18 UTC 2026-03-31 16:53:56 UTC Veratrine SmallMolecule Veratrine belongs to the steroidal alkaloids, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 591.74 g/mol, Veratrine is a heavy molecule. Its chemical formula is C32H49NO9. This compound is found in or released from 14 recorded sources. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. Additional sources include drinking water and water supply, specifically drinking water, and food, food processing and cookware via food packaging. In the healthcare, pharmaceuticals and veterinary products sector, it is found in medical devices, while the energy, oil and gas sector lists lubricants as a source. Veratrine is also associated with two other sectors. Recorded exposure routes for this substance include inhalation, oral exposure, and touch. PFAS C32H49NO9 591.742 591.340732162 (1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0^{2,11}.0^{4,9}.0^{15,25}.0^{18,23}.0^{19,25}]hexacosan-22-yl (2Z)-2-methylbut-2-enoate (1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0^{2,11}.0^{4,9}.0^{15,25}.0^{18,23}.0^{19,25}]hexacosan-22-yl (2Z)-2-methylbut-2-enoate 62-59-9 [H]\C(C)=C(/C)C(=O)O[C@@]1([H])CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@]5(O)C[C@]([H])(O)[C@@]6(O)[C@@]([H])(CN7C[C@@]([H])(C)CC[C@@]7([H])[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1 DBUCFOVFALNEOO-HWBIYQLFSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Cerveratrum-type alkaloids 1,2-aminoalcohols Alkaloids and derivatives Amino acids and derivatives Azacyclic compounds Azasteroids and derivatives Carbonyl compounds Cyclic alcohols and derivatives Enoate esters Fatty acid esters Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Oxepanes Piperidines Polyols Quinolizidines Secondary alcohols Tertiary alcohols Tetrahydrofurans Trialkylamines 1,2-aminoalcohol Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Azacycle Azasteroid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cerveratrum-type alkaloid Cyclic alcohol Enoate ester Fatty acid ester Fatty acyl Hemiacetal Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxepane Piperidine Polyol Quinolizidine Secondary alcohol Tertiary alcohol Tertiary aliphatic amine Tertiary amine Tetrahydrofuran Aliphatic heteropolycyclic compounds Detected and Not Quantified logp 1.04 ALOGPS logs -2.52 ALOGPS solubility 1.78e+00 g/l ALOGPS logp 0.86 ChemAxon pka_strongest_acidic 10.88 ChemAxon pka_strongest_basic 8.77 ChemAxon iupac (1R,2S,6S,9S,10R,11S,12S,14R,15S,18S,19S,22S,23S,25R)-1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0^{2,11}.0^{4,9}.0^{15,25}.0^{18,23}.0^{19,25}]hexacosan-22-yl (2Z)-2-methylbut-2-enoate ChemAxon average_mass 591.742 ChemAxon mono_mass 591.340732162 ChemAxon smiles [H]\C(C)=C(/C)C(=O)O[C@@]1([H])CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@]5(O)C[C@]([H])(O)[C@@]6(O)[C@@]([H])(CN7C[C@@]([H])(C)CC[C@@]7([H])[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O ChemAxon formula C32H49NO9 ChemAxon inchi InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1 ChemAxon inchikey DBUCFOVFALNEOO-HWBIYQLFSA-N ChemAxon polar_surface_area 160.15 ChemAxon refractivity 151.59 ChemAxon polarizability 64.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726252dcb8> 5380394 4528662