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Product No: DT8394

Ecdysterone, min.97% (HPLC)

Name: Ecdysterone
Brand: Chempure

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CAS Number

5289-74-7

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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
canonical smiles	CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
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
molecular formula	C27H44O7
synonyms	20-HYDROXYECDYSONE Ecdysterone 5289-74-7 Crustecdysone beta-Ecdysone
Compound Description	20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as a plant metabolite and an animal metabolite. It is a 20-hydroxy steroid, an ecdysteroid, a 14alpha-hydroxy steroid, a 3beta-sterol, a 2beta-hydroxy steroid, a 22-hydroxy steroid, a 25-hydroxy steroid and a phytoecdysteroid. It is functionally related to an ecdysone. Sarconeos is an activator of the MAS receptor. 20-Hydroxyecdysone is a natural product found in Silene wallichiana, Helleborus torquatus, and other organisms with data available. A steroid hormone that regulates the processes of MOLTING or ecdysis in insects. Ecdysterone is the 20-hydroxylated ECDYSONE.

Computed Properties

Molecular Weight:	480.6 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	6
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	5
Exact Mass:	480.30870374 g/mol
Monoisotopic Mass:	480.30870374 g/mol
Topological Polar Surface Area:	138 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	869
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	10
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

20-Hydroxyecdysone

6beta-Hydroxycortisol

Ecdysone

Ponasterone A

Cyasterone

Muristerone a

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Cucurbitacin F

Makisterone A

2-Deoxyecdysone

Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-

CID 44449940

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[(2R)-3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

hyousterone A

hyousterone C

hazard signal	Warning
hazard classes and categories	Aquatic Acute 1 (93.55%) Aquatic Chronic 1 (96.77%)
precautionary statement codes	P273, P391, and P501
hazard statements	H400 (93.55%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (96.77%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

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
canonical smiles	CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
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
molecular formula	C27H44O7
synonyms	20-HYDROXYECDYSONE Ecdysterone 5289-74-7 Crustecdysone beta-Ecdysone
Compound Description	20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as a plant metabolite and an animal metabolite. It is a 20-hydroxy steroid, an ecdysteroid, a 14alpha-hydroxy steroid, a 3beta-sterol, a 2beta-hydroxy steroid, a 22-hydroxy steroid, a 25-hydroxy steroid and a phytoecdysteroid. It is functionally related to an ecdysone. Sarconeos is an activator of the MAS receptor. 20-Hydroxyecdysone is a natural product found in Silene wallichiana, Helleborus torquatus, and other organisms with data available. A steroid hormone that regulates the processes of MOLTING or ecdysis in insects. Ecdysterone is the 20-hydroxylated ECDYSONE.

Computed Properties

Molecular Weight:	480.6 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	6
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	5
Exact Mass:	480.30870374 g/mol
Monoisotopic Mass:	480.30870374 g/mol
Topological Polar Surface Area:	138 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	869
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	10
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

20-Hydroxyecdysone

6beta-Hydroxycortisol

Ecdysone

Ponasterone A

Cyasterone

Muristerone a

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Cucurbitacin F

Makisterone A

2-Deoxyecdysone

Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-

CID 44449940

(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[(2R)-3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

hyousterone A

hyousterone C

hazard signal	Warning
hazard classes and categories	Aquatic Acute 1 (93.55%) Aquatic Chronic 1 (96.77%)
precautionary statement codes	P273, P391, and P501
hazard statements	H400 (93.55%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (96.77%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Product No: DT8394

Ecdysterone, min.97% (HPLC)

Product No: DT8394

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DT8394

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?