1.0 2010-04-08 22:11:20 UTC 2019-11-26 03:10:20 UTC FDB014560 psi-Taraxasteryl acetate Constituent of Calendula officinalis (pot marigold). psi-Taraxasteryl acetate is found in burdock and dandelion. 20-Taraxasten-3beta-yl acetate Acetate(3beta,18alpha,19alpha)-urs-20-en-3-ol psi-Taraxasterol acetate psi-Taraxasteryl acetate Urs-20-en-3-ol acetate Urs-20-en-3-ol, acetate, (3beta,18alpha,19alpha)- C32H52O2 468.7541 468.396730908 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,12,12a,12b,13,14,14a-tetradecahydro-1H-picen-3-yl acetate 4586-65-6 CC1C2C3CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3 DYTVUYVLJDSMFA-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 homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 6.94 ALOGPS logs -7.36 ALOGPS solubility 2.03e-05 g/l ALOGPS melting_point Mp 240-241° logp 7.83 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate ChemAxon average_mass 468.7541 ChemAxon mono_mass 468.396730908 ChemAxon smiles CC1C2C3CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C ChemAxon formula C32H52O2 ChemAxon inchi InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3 ChemAxon inchikey DYTVUYVLJDSMFA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 141.13 ChemAxon polarizability 58.59 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10616 Specdb::MsMs 10617 Specdb::MsMs 10618 Specdb::MsMs 17288 Specdb::MsMs 17289 Specdb::MsMs 17290 Specdb::MsMs 2403494 Specdb::MsMs 2403495 Specdb::MsMs 2403496 Specdb::MsMs 2535572 Specdb::MsMs 2535573 Specdb::MsMs 2535574 Specdb::CMs 9647 Specdb::CMs 168718 HMDB35806 #<Reference:0x000055ce325e5780> Burdock Type 1 specific Arctium lappa 4217 Dandelion Type 1 specific Taraxacum officinale 50225