1.0 2010-04-08 22:05:12 UTC 2025-11-18 22:34:16 UTC FDB001996 Crustecdysone Isolated from the marine crayfish Jasus lalandei in low yield (2 mg/ton). Crustecdysone is found in crustaceans and spinach. .beta-Ecdysterone 20-Hydroxy-a-ecdysone 20-Hydroxyecdysone 20-OH ecdysone b-Ecdysone Beta-ecdysone Commisterone Crustecdyson Crustecdysone Ecdysteron Ecdysterone Insect moulting hormone Isoinokosterone Polypodine A THE-7 Viticosterone C27H44O7 480.6341 480.308703762 4,5,11-trihydroxy-2,15-dimethyl-14-(2,3,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one 4,5,11-trihydroxy-2,15-dimethyl-14-(2,3,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one 5289-74-7 CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3 NKDFYOWSKOHCCO-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group. Hydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 14-hydroxysteroids 3-hydroxy delta-7-steroids 6-oxosteroids Cholesterols and derivatives Cyclic alcohols and derivatives Cyclohexenones Delta-7-steroids Ecdysteroids Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols 14-hydroxysteroid 2-hydroxysteroid 20-hydroxysteroid 22-hydroxysteroid 25-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid 6-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cholestane-skeleton Cholesterol Cholesterol-skeleton Cyclic alcohol Cyclohexenone Delta-7-steroid Ecdysteroid Hexahydroxy bile acid, alcohol, or derivatives Hydrocarbon derivative Hydroxy bile acid, alcohol, or derivatives Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Polyol Secondary alcohol Tertiary alcohol a steroid logp 1.30 ALOGPS logs -3.06 ALOGPS solubility 4.15e-01 g/l ALOGPS melting_point Mp 237.5-239.5° (243°) logp 0.61 ChemAxon pka_strongest_acidic 13.26 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 4,5,11-trihydroxy-2,15-dimethyl-14-(2,3,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-8-one ChemAxon average_mass 480.6341 ChemAxon mono_mass 480.308703762 ChemAxon smiles CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C ChemAxon formula C27H44O7 ChemAxon inchi InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3 ChemAxon inchikey NKDFYOWSKOHCCO-UHFFFAOYSA-N ChemAxon polar_surface_area 138.45 ChemAxon refractivity 128.88 ChemAxon polarizability 53.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23136 Specdb::CMs 41804 Specdb::CMs 125750 Specdb::CMs 129815 Specdb::MsMs 7748 Specdb::MsMs 7749 Specdb::MsMs 7750 Specdb::MsMs 7766 Specdb::MsMs 7767 Specdb::MsMs 7768 Specdb::MsMs 11075 Specdb::MsMs 11076 Specdb::MsMs 11077 Specdb::MsMs 14420 Specdb::MsMs 14421 Specdb::MsMs 14422 Specdb::MsMs 14438 Specdb::MsMs 14439 Specdb::MsMs 14440 Specdb::MsMs 17747 Specdb::MsMs 17748 Specdb::MsMs 17749 Specdb::MsMs 3390187 Specdb::MsMs 3390188 Specdb::MsMs 3390189 Specdb::MsMs 3390190 Specdb::MsMs 3390191 Specdb::MsMs 3390192 HMDB30180 16587 #<Reference:0x000055ce3217c450> #<Reference:0x000055ce3217c298> Crustaceans Unknown generic 6657 Spinach Type 1 specific Spinacia oleracea 3562 Hypocholesterolemic 1016 Lipolytic 1074