AG003GA6

5289-74-7 | 20-hydroxy Ecdysone

AG003GA6

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CAS Number	5289-74-7
Catalog Number	AG003GA6(AGN-PC-0OBSJ7)
Chemical Name	20-hydroxy Ecdysone
IUPAC Name	(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
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/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChI Key	NKDFYOWSKOHCCO-YPVLXUMRSA-N
MDL Number	MFCD00036740
Molecular Formula	C27H44O7
Molecular Weight	480.6341
SMILES	O[C@@]1([C@@](CC2)(C)[C@@H](C(C)(O)[C@H](O)CCC(C)(O)C)CC1)C([C@@]2([H])[C@]3(C)[C@@]4([H])C[C@@H](O)[C@@H](O)C3)=CC4=O
UNII	779A7KPL0Y
Synonyms	20 Hydroxyecdysone, 20-Hydroxyecdysone, Beta Ecdysone, Beta-Ecdysone, Crustecdysone, Ecdysterone, 20-HYDROXYECDYSONE, Ecdysterone, beta-Ecdysone, 5289-74-7, Commisterone, Crustecdysone, Polypodine A, 20-OH ecdysone, THE-7, Insect moulting hormone, b-Ecdysone, Crustecdyson, Hydroxyecdysone, Isoinokosterone, Viticosterone, Ecdysteron, (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, CHEMBL224128, CHEBI:16587, beta-ECDYSTERONE, MFCD00036740, 20-E, 2beta,3beta,14alpha,20beta,22,25-Hexahydroxy-7-cholesten-6-one, UNII-779A7KPL0Y, 20E, C27H44O7, 2beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one, Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2b,3b,5b,22R)-, (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one, SMR000539832, 779A7KPL0Y, 2|A,3|A,14|A,20|A,22,25-Hexahydroxy-7-cholesten-6-one, henanthren-6-one, .beta-Ecdysterone, 20-Hydroxyecdyson, AC1NUSFS, B-ecdysone,Commisterone, 20-Hydroxy-a-ecdysone, SCHEMBL22086, MLS001164644, MLS002207226, DTXSID5040388, CTK8E9736, NKDFYOWSKOHCCO-YPVLXUMRSA-N, HMS2230L09, 2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one, BDBM50326777, CH0034, LMST01010209, s2417, AKOS004120029, ZINC238809241, MCULE-9660893096, AC-19603, AB3000033, TR-018728, N1350, V0682, 20-Hydroxyecdysone, >=93% (HPLC), powder, 137704-EP2374792A1, 289E747, A829299, Q-201054, (2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, 2-beta,3-beta,14,20,22,25-Hexahydroxy-5-beta-cholet-7-en-6- one, (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one, (2alpha,3alpha,5alpha,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, (2S,3R,5R,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one, (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]p, (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one, (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one, 20-Hydroxyecdysone;2|A,3|A,14|A,20|A,22,25-Hexahydroxy-7-cholesten-6-one;Ecdysterone;Insect moulting hormone;Polypodine A, Ekdisten, beta-Ecdisone, Beta Ecdysone, Polypodine C, beta-Ecdysone,, |A-Ecdysone, (+)-Ecdysterone, 20 Hydroxyecdysone, ECDYSONE, (+)-20-Hydroxyecdysone, NSC629484, ACN-035643, C27-H44-O7, CID5459840, NSC 629484, BRN 1917578, AI3-44727, D004441, 2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, |A-ECDYSONE,2,3,14,20,22,25-HEXAHYDROXY-7-CHOLESTEN-6-ONE, 2-beta,3-beta,14,20,22,25-Hexahydroxy-5-beta-cholet-7-en-6-one, 20-Hydroxyecdysone, 98%, from Arachnoides C. B. Clarke - 10MG 10mg, 5.beta.-Cholest-7-en-6-one, 2.beta.,3.beta.,14,20,22,25-hexahydroxy-, (22R)-, Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2.beta.,3.beta.,5.beta.,22R)-, Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2beta,3beta,5beta,22R)-,

Complexity	869
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	480.309g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	480.642g/mol
Monoisotopic Mass	480.309g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number