1.0 2010-04-08 22:11:57 UTC 2018-05-29 01:20:20 UTC FDB015606 12beta-20-Ursen-12-ol Isolated from flowers of Calendula officinalis (pot marigold) C30H50O 426.7174 426.386166222 (6aR,6bR,8aS,12R,12aS,12bR,13R,14bS)-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-13-ol (6aR,6bR,8aS,12R,12aS,12bR,13R,14bS)-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-13-ol 20545-50-0 [H][C@@]12[C@@H](C)C(C)=CC[C@]1(C)CC[C@]1(C)[C@]2([H])[C@H](O)CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C InChI=1S/C30H50O/c1-19-10-14-27(5)16-17-30(8)25(24(27)20(19)2)21(31)18-23-28(6)13-9-12-26(3,4)22(28)11-15-29(23,30)7/h10,20-25,31H,9,11-18H2,1-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1 VBUWOXTVZDSTHP-HHCMUIRZSA-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.18 ALOGPS logs -6.89 ALOGPS solubility 5.50e-05 g/l ALOGPS melting_point Mp 185-186° logp 7.31 ChemAxon pka_strongest_basic -0.34 ChemAxon iupac (6aR,6bR,8aS,12R,12aS,12bR,13R,14bS)-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-13-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles [H][C@@]12[C@@H](C)C(C)=CC[C@]1(C)CC[C@]1(C)[C@]2([H])[C@H](O)CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]12C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19-10-14-27(5)16-17-30(8)25(24(27)20(19)2)21(31)18-23-28(6)13-9-12-26(3,4)22(28)11-15-29(23,30)7/h10,20-25,31H,9,11-18H2,1-8H3/t20-,21+,22?,23?,24-,25+,27+,28-,29+,30+/m0/s1 ChemAxon inchikey VBUWOXTVZDSTHP-HHCMUIRZSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 132.06 ChemAxon polarizability 53.78 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18868 Specdb::CMs 44969 Specdb::CMs 158655 Specdb::MsMs 105552 Specdb::MsMs 105553 Specdb::MsMs 105554 Specdb::MsMs 172071 Specdb::MsMs 172072 Specdb::MsMs 172073 Specdb::MsMs 2389723 Specdb::MsMs 2389724 Specdb::MsMs 2389725 Specdb::MsMs 2575531 Specdb::MsMs 2575532 Specdb::MsMs 2575533 HMDB36676 #<Reference:0x000055ce31ce4320>