1.0 2010-04-08 22:13:43 UTC 2019-11-26 03:16:09 UTC FDB018443 Carissol Constituent of Carissa carandas (karanda). Carissol is found in beverages and fruits. C30H50O 426.7174 426.386166222 (3S,6aR,6bS,8aR,11S,12R,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol (3S,6aR,6bS,8aR,11S,12R,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol 5937-48-4 [H][C@@]12[C@H](C)[C@@H](C)CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22?,23?,24-,25-,27+,28-,29+,30+/m0/s1 FSLPMRQHCOLESF-QJYIJPODSA-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 6.90 ALOGPS logs -7.00 ALOGPS solubility 4.25e-05 g/l ALOGPS melting_point Mp 118-120° logp 7.39 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (3S,6aR,6bS,8aR,11S,12R,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles [H][C@@]12[C@H](C)[C@@H](C)CC[C@]1(C)CC[C@]1(C)C2=CCC2[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22?,23?,24-,25-,27+,28-,29+,30+/m0/s1 ChemAxon inchikey FSLPMRQHCOLESF-QJYIJPODSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.98 ChemAxon polarizability 53.53 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15042 Specdb::CMs 44959 Specdb::CMs 137471 Specdb::CMs 145205 Specdb::MsMs 51339 Specdb::MsMs 51340 Specdb::MsMs 51341 Specdb::MsMs 171978 Specdb::MsMs 171979 Specdb::MsMs 171980 Specdb::MsMs 2474768 Specdb::MsMs 2474769 Specdb::MsMs 2474770 Specdb::MsMs 2490470 Specdb::MsMs 2490471 Specdb::MsMs 2490472 HMDB36657 #<Reference:0x000055ce31d3ae50> Beverages Unknown generic Fruits Unknown generic