Cas no 22033-96-1 ((20R,22R)-2beta,3beta,14alpha,20,22-pentahydroxy-25-acetoxy-5beta-cholest-7-en-6-one)

(20R,22R)-2beta,3beta,14alpha,20,22-pentahydroxy-25-acetoxy-5beta-cholest-7-en-6-one structure
22033-96-1 structure
Product Name:(20R,22R)-2beta,3beta,14alpha,20,22-pentahydroxy-25-acetoxy-5beta-cholest-7-en-6-one
CAS No:22033-96-1
MF:C29H46O8
MW:522.670750141144
CID:2009651
PubChem ID:11226211
Update Time:2025-04-21

(20R,22R)-2beta,3beta,14alpha,20,22-pentahydroxy-25-acetoxy-5beta-cholest-7-en-6-one Chemical and Physical Properties

Names and Identifiers

    • (20R,22R)-2beta,3beta,14alpha,20,22-pentahydroxy-25-acetoxy-5beta-cholest-7-en-6-one
    • 20-hydroxyecdysone-25-acetate
    • 25-O-acetyl-20-hydroxyecdysone
    • Viticosteron E (Crustecdyson-25-acetat)
    • Viticosteron E, Ecdysteron-25-acetat
    • Viticosterone E
    • (+)-Viticosterone E
    • Viticosteron E
    • 20-hydroxyecdysone 25-acetate
    • 5beta-Cholest-7-en-6-one, 2beta,3beta,14,20,22,25-hexahydroxy-, 25-acetate, (22R)-
    • [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(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-2-yl] acetate
    • CHEMBL3793792
    • 2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl acetate #
    • Cholest-7-en-6-one, 25-(acetyloxy)-2,3,14,20,22-pentahydroxy-, (2.beta.,3.beta.,5.beta.,22R)-
    • Cholest-7-en-6-one, 25-(acetyloxy)-2,3,14,20,22-pentahydroxy-, (2beta,3beta,5beta,22R)-
    • 22033-96-1
    • 5.beta.-Cholest-7-en-6-one, 2.beta.,3.beta.,14,20,22,25-hexahydroxy-, 25-acetate, (22R)-
    • ((5R,6R)-5,6-dihydroxy-2-methyl-6-((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-2-yl) acetate
    • Inchi： 1S/C29H46O8/c1-16(30)37-25(2,3)10-9-24(34)28(6,35)23-8-12-29(36)18-13-20(31)19-14-21(32)22(33)15-26(19,4)17(18)7-11-27(23,29)5/h13,17,19,21-24,32-36H,7-12,14-15H2,1-6H3
    • InChI Key： DWHBRFSKXQCVDN-UHFFFAOYSA-N
    • SMILES： CC(OC(CCC(C(C1C2(C(C3C(CC2)C2(C(CC(C(C2)O)O)C(=O)C=3)C)(O)CC1)C)(O)C)O)(C)C)=O

Computed Properties

  • Exact Mass: 522.31926842Da
  • Monoisotopic Mass: 522.31926842Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 7
  • Complexity: 975
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.789
  • Topological Polar Surface Area: 145?2

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