Products 22961-68-8

CAS 22961-68-8 appears in our catalog under these names: 3-O-Acetyl-20-Hydroxyecdysone, o-Acetyl-hydroxyecdysone, 3-O-Acetyl-20-Hydroxyecdysone, 98.59%. Offered by: TargetMol, Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 1 mg.

3-O-Acetyl-20-Hydroxyecdysone
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 1129.62
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o-Acetyl-hydroxyecdysone
Biosynth
  • size: 50mg, 25mg
  • Variants: 2
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3-O-Acetyl-20-Hydroxyecdysone, 98.59%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 1633.94
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Structural formula: {0} (CAS {1})

[(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-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-3-yl] acetate (CAS 22961-68-8) is a chemical compound with the molecular formula C29H46O8 and a molecular weight of 522.7 g/mol. IUPAC name: [(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-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-3-yl] acetate. InChIKey: UWFCFVQTAHITKV-OQQOFWQASA-N.

Identity
Molecular formulaC29H46O8
Molecular weight522.7 g/mol
IUPAC name[(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-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-3-yl] acetate
InChIKeyUWFCFVQTAHITKV-OQQOFWQASA-N
SMILESCC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@@H]([C@]2(C[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)O)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: 3-O-Acetyl-20-hydroxyecdysone, 20-Hydroxyecdysone 3-acetate, orb1308885
Isomers (same molecular formula)
[(2R,3R)-2,6-dihydroxy-6-methyl-2-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl] acetate C29H46O8
methyl (4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3-ethoxycarbonyloxy-6-formyloxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C29H46O8
dibutyl (Z)-but-2-enedioate;ethenyl acetate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate C29H46O8
[(2S,3R,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-6-oxo-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-2-yl] acetate C29H46O8
[(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-3,11,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate C29H46O8