1.02010-04-08 22:11:47 UTC2019-11-26 03:11:28 UTCFDB015339IsocalamendiolConstituent of the rhizomes of Acorus calamus (sweet flag). Isocalamendiol is found in herbs and spices and root vegetables.IsocalamendiolC15H26O2238.3657238.1932800761-methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diol4-isopropyl-1-methyl-6-methylidene-hexahydro-2H-naphthalene-1,4a-diol30167-28-3CC(C)C1CCC(C)(O)C2CCC(=C)CC12OInChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3AHNGXHRYFGQWSL-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.SesquiterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsSesquiterpenoidsAliphatic homopolycyclic compoundsCyclic alcohols and derivativesHydrocarbon derivativesTertiary alcoholsAlcoholAliphatic homopolycyclic compoundCadinane sesquiterpenoidCyclic alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSesquiterpenoidTertiary alcohollogp2.52logs-2.64solubility5.45e-01 g/lmelting_pointMp 72.5-73.5°logp2.4pka_strongest_acidic14.06pka_strongest_basic-2.9iupac1-methyl-6-methylidene-4-(propan-2-yl)-decahydronaphthalene-1,4a-diolaverage_mass238.3657mono_mass238.193280076smilesCC(C)C1CCC(C)(O)C2CCC(=C)CC12OformulaC15H26O2inchiInChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3inchikeyAHNGXHRYFGQWSL-UHFFFAOYSA-Npolar_surface_area40.46refractivity69.86polarizability28.19rotatable_bond_count1acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs16861Specdb::CMs43986Specdb::CMs161952Specdb::MsMs10517Specdb::MsMs10518Specdb::MsMs10519Specdb::MsMs12833Specdb::MsMs12834Specdb::MsMs12835Specdb::MsMs17189Specdb::MsMs17190Specdb::MsMs17191Specdb::MsMs19505Specdb::MsMs19506Specdb::MsMs19507Specdb::MsMs2810996Specdb::MsMs2810997Specdb::MsMs2810998Specdb::MsMs2894105Specdb::MsMs2894106Specdb::MsMs2894107HMDB34673#<Reference:0x00005556755a30e0>Herbs and SpicesUnknowngenericRoot vegetablesUnknowngeneric