Cas no 78832-67-4 (Cholest-7-en-6-one,2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2b,3b,5b,22R)-)

Cholest-7-en-6-one,2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2b,3b,5b,22R)- structure
78832-67-4 structure
Product Name:Cholest-7-en-6-one,2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2b,3b,5b,22R)-
CAS No:78832-67-4
MF:C31H48O10
MW:580.706830978394
CID:564632
PubChem ID:44144488
Update Time:2025-04-19

Cholest-7-en-6-one,2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2b,3b,5b,22R)- Chemical and Physical Properties

Names and Identifiers

    • Cholest-7-en-6-one,2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2b,3b,5b,22R)-
    • ecdysone 2-hemisuccinate
    • DTXSID301000068
    • 78832-67-4
    • beta-Ecdysone 2-hemisuccinate
    • 4-Oxo-4-[(3,14,20,22,25-pentahydroxy-6-oxocholest-7-en-2-yl)oxy]butanoic acid
    • Cholest-7-en-6-one, 2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2beta,3beta,5beta,22R)-
    • Inchi： 1S/C31H48O10/c1-27(2,38)11-10-24(34)30(5,39)23-9-13-31(40)18-14-20(32)19-15-21(33)22(41-26(37)7-6-25(35)36)16-28(19,3)17(18)8-12-29(23,31)4/h14,17,19,21-24,33-34,38-40H,6-13,15-16H2,1-5H3,(H,35,36)/t17-,19-,21+,22-,23-,24?,28+,29+,30+,31?/m0/s1
    • InChI Key： DPULBYBNKZZWKM-MYNQUVIASA-N
    • SMILES： OC12CC[C@H]([C@](C)(C(CCC(C)(C)O)O)O)[C@@]1(C)CC[C@H]1C2=CC([C@@H]2C[C@H]([C@H](C[C@]12C)OC(CCC(=O)O)=O)O)=O

Computed Properties

  • Exact Mass: 580.32474772g/mol
  • Monoisotopic Mass: 580.32474772g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 10
  • Complexity: 1100
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 182?2

Cholest-7-en-6-one,2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2b,3b,5b,22R)- Related Literature

Related Categories

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