Hydroxyecdysone - analytical standard, ≥95%(HPLC) , CAS No.5289-74-7

CAS: 5289-74-7 Cat. No.: H108843 Formula: C₂₇H₄₄O₇ Peso molecolare: 480.63 Beilstein Registry Number: 1917578 Numero EC: 811-097-1

QUALITÀ & PUREZZA Analytical standard, ≥95%(HPLC)

Synonyms

HB3718 | BDBM50326777 | LMST01010209 | THE-7 | HY-N6979 | beta-Ecdysone | MLS002207226 | 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,25-hexahydroxy-, (22R)- | 779A7KPL0Y | Bio 101 | HMS2230L09 | s2417 | SCHEMBL22086 | 20-HYDROXYECDYSONE [WHO-DD] | B

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifiche

Sinonimi

HB3718 | BDBM50326777 | LMST01010209 | THE-7 | HY-N6979 | beta-Ecdysone | MLS002207226 | 5-beta-Cholest-7-en-6-one, 2-beta,3-beta,14,20,22,25-hexahydroxy-, (22R)- | 779A7KPL0Y | Bio 101 | HMS2230L09 | s2417 | SCHEMBL22086 | 20-HYDROXYECDYSONE [WHO-DD] | B

Specifiche e purezza

analytical standard, ≥95%(HPLC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Purezza

≥95%(HPLC)

Nomi e identificatori

Pubchem Sid

528775618

Sorrisi canonici

CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O

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

InChIKey

NKDFYOWSKOHCCO-YPVLXUMRSA-N

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

Isomeri SMILES

C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

WGK Germania

2

Peso molecolare

480.63

Beilstein

1917578

Reaxy-Rn

2229591

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2229591&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy bile acids, alcohols and derivatives
• Alternative Parents: Cholesterols and derivatives Ecdysteroids 6-oxosteroids 3-hydroxy delta-7-steroids 3-beta-hydroxysteroids 14-hydroxysteroids Delta-7-steroids Cyclohexenones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hexahydroxy bile acid, alcohol, or derivatives - Cholesterol - Cholesterol-skeleton - Cholestane-skeleton - Ecdysteroid - 25-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 20-hydroxysteroid - 3-hydroxy-delta-7-steroid - 2-hydroxysteroid - 3-beta-hydroxysteroid - Oxosteroid - 6-oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 14-hydroxysteroid - Delta-7-steroid - Cyclohexenone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
• Descrizione: This compound 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.
• External Descriptors: Cholesterol and derivatives

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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EcR Ecdysone receptor (102 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Akt1 RAC-alpha serine/threonine-protein kinase (147 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 244°C - 248°C
• Peso molecolare: 480.600 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 480.309 Da
• Monoisotopic Mass: 480.309 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 869.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1