1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:15 UTC FDB015809 Cincassiol B Constituent of Cinnamomum cassia (Chinese cinnamon) [CCD]. Cincassiol B is found in chinese cinnamon and herbs and spices. 1, 5-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane 1,5-Endomethylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane 1,5-Methylene-3,7-dinitroso-1,3,5,7-tetraazacyclooctane 3, 7-Di-N-nitrosopentamethylenetetramine 3,4-Di-N-nitrosopentamethylenetetramine 3,7-Di-N-nitrosopentamethylenetetramine 3,7-Dinitroso-1,3,5, 7-tetraazabicyclo(3,3,1)nonane 3,7-Dinitroso-1,3,5,7-tetraazabicyclo-(3,3,1)-nonane 3,7-Dinitroso-1,3,5,7-tetraazabicyclo(3,3,1)nonane 3,7-Dinitroso-1,3,5,7-tetraazabicyclo(3.3.1)nonane 3,7-Dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane Aceto dnpt 100 Aceto dnpt 40 Aceto dnpt 80 Cellmic a 80 Celmike a Chempor N 90 Chempor PC 65 CHKHZ 18 CHKHZ-18 Cincassiol B Di-N-nitrosopentamethylenetetramine Dinitroso-pentamethylenetetramine Dinitrosopentamethenetetramine Dinitrosopentamethylene tetramine Dinitrosopentamethylenetetraamine Dinitrosopentamethylenetetramine Dipentax Dnmpt Dnpmt DNPT Khempor N 90 Micropor Mikrofor N N, N-Dinitrosopentamethylenetetramine N, N'-dinitrosopentamethylenetetramine N,N-Dinitrosopentamethylenetetramine N,N'-dinitrosopenta-methylenetetramine, pure N,N'-dinitrosopentamethylenetetramine N(1),N(3)-Dinitrosopentamethylenetetramine OPEX Opex 80 Opex 93 Porofor chkhc-18 Porofor chkhz-18 Porofor dno/f Porophor b Porotor dno/f Ryanodol; 3-Deoxy, 19-hydroxy Unicel 100 Unicel nd Unicel ndx Unicel-nd Vulcacel b-40 Vulcacel bn Vulcacel bn 94 C20H32O8 400.4633 400.209718 (1R,2R,3S,6S,7R,10R,11S,13R,14R)-11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecane-2,6,9,11,13,14-hexol (1R,2R,3S,6S,7R,10R,11S,13R,14R)-11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecane-2,6,9,11,13,14-hexol 73599-13-0 CC(CO)[C@@]1(O)C[C@@]2(O)[C@@]3(C)CC4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C InChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3/t10-,11?,12+,13-,14-,15-,16-,17+,18?,19+,20+/m0/s1 LIGPZBKBGCJTGC-ZBTYPRQGSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Hemiacetals Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Diterpenoid Hemiacetal Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Ryanodane diterpenoid Secondary alcohol Tertiary alcohol Tetrahydrofuran solid logp -0.77 ALOGPS logs -0.91 ALOGPS solubility 4.93e+01 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 11.32 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (1R,2R,3S,6S,7R,10R,11S,13R,14R)-11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecane-2,6,9,11,13,14-hexol ChemAxon average_mass 400.4633 ChemAxon mono_mass 400.209718 ChemAxon smiles CC(CO)[C@@]1(O)C[C@@]2(O)[C@@]3(C)CC4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C ChemAxon formula C20H32O8 ChemAxon inchi InChI=1S/C20H32O8/c1-10-5-6-16(24)13(3)8-18(26)14(4)15(23,11(2)7-21)9-17(13,25)20(14,27)19(16,28-18)12(10)22/h10-12,21-27H,5-9H2,1-4H3/t10-,11?,12+,13-,14-,15-,16-,17+,18?,19+,20+/m0/s1 ChemAxon inchikey LIGPZBKBGCJTGC-ZBTYPRQGSA-N ChemAxon polar_surface_area 150.84 ChemAxon refractivity 95.34 ChemAxon polarizability 51.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81078 Specdb::MsMs 81079 Specdb::MsMs 81080 Specdb::MsMs 142110 Specdb::MsMs 142111 Specdb::MsMs 142112 HMDB36855 #<Reference:0x000055ce31d25050> #<Reference:0x000055ce31d24e98> #<Reference:0x000055ce31d24ce0> #<Reference:0x000055ce31d24b28> #<Reference:0x000055ce31d24970> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic