1.02010-04-08 22:05:12 UTC2019-11-26 02:56:51 UTCFDB001996CrustecdysoneIsolated from the marine crayfish Jasus lalandei in low yield (2 mg/ton). Crustecdysone is found in crustaceans and spinach..beta-Ecdysterone20-Hydroxy-a-ecdysone20-Hydroxyecdysone20-OH ecdysoneb-EcdysoneBeta-ecdysoneCommisteroneCrustecdysonCrustecdysoneEcdysteronEcdysteroneInsect moulting hormoneIsoinokosteronePolypodine ATHE-7ViticosteroneC27H44O7480.6341480.3087037624,5,11-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-one4,5,11-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-one5289-74-7CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CInChI=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,6-11,13-14H2,1-5H3NKDFYOWSKOHCCO-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 derivativesOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesBile acids, alcohols and derivativesAliphatic homopolycyclic compounds14-hydroxysteroids3-hydroxy delta-7-steroids6-oxosteroidsCholesterols and derivativesCyclic alcohols and derivativesCyclohexenonesDelta-7-steroidsEcdysteroidsHydrocarbon derivativesOrganic oxidesPolyolsSecondary alcoholsTertiary alcohols14-hydroxysteroid2-hydroxysteroid20-hydroxysteroid22-hydroxysteroid25-hydroxysteroid3-hydroxy-delta-7-steroid3-hydroxysteroid6-oxosteroidAlcoholAliphatic homopolycyclic compoundCarbonyl groupCholestane-skeletonCholesterolCholesterol-skeletonCyclic alcoholCyclohexenoneDelta-7-steroidEcdysteroidHexahydroxy bile acid, alcohol, or derivativesHydrocarbon derivativeHydroxy bile acid, alcohol, or derivativesHydroxysteroidKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxosteroidPolyolSecondary alcoholTertiary alcohola steroidlogp1.30logs-3.06solubility4.15e-01 g/lmelting_pointMp 237.5-239.5° (243°)logp0.61pka_strongest_acidic13.26pka_strongest_basic-2.6iupac4,5,11-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-oneaverage_mass480.6341mono_mass480.308703762smilesCC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12CformulaC27H44O7inchiInChI=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,6-11,13-14H2,1-5H3inchikeyNKDFYOWSKOHCCO-UHFFFAOYSA-Npolar_surface_area138.45refractivity128.88polarizability53.47rotatable_bond_count5acceptor_count7donor_count6physiological_charge0formal_charge0Specdb::CMs23136Specdb::CMs41804Specdb::CMs125750Specdb::CMs129815Specdb::MsMs7748Specdb::MsMs7749Specdb::MsMs7750Specdb::MsMs7766Specdb::MsMs7767Specdb::MsMs7768Specdb::MsMs11075Specdb::MsMs11076Specdb::MsMs11077Specdb::MsMs14420Specdb::MsMs14421Specdb::MsMs14422Specdb::MsMs14438Specdb::MsMs14439Specdb::MsMs14440Specdb::MsMs17747Specdb::MsMs17748Specdb::MsMs17749Specdb::MsMs3390187Specdb::MsMs3390188Specdb::MsMs3390189Specdb::MsMs3390190Specdb::MsMs3390191Specdb::MsMs3390192HMDB3018016587#<Reference:0x00005556745fe6a8>#<Reference:0x00005556745fe428>CrustaceansUnknowngeneric6657SpinachType 1specificSpinacia oleracea3562hypocholesterolemic1016lipolytic1074