Cas no 17942-08-4 (Cholest-7-en-6-one,3,14,20,22,25-pentahydroxy-, (3b,5b,22R)-)

Cholest-7-en-6-one,3,14,20,22,25-pentahydroxy-, (3b,5b,22R)- structure
17942-08-4 structure
Product Name:Cholest-7-en-6-one,3,14,20,22,25-pentahydroxy-, (3b,5b,22R)-
CAS No:17942-08-4
MF:C27H44O6
MW:464.634669303894
CID:174016
PubChem ID:9912297
Update Time:2025-04-19

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

Names and Identifiers

    • Cholest-7-en-6-one,3,14,20,22,25-pentahydroxy-, (3b,5b,22R)-
    • (3S,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-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
    • 2-DEOXY-20-HYDROXYECDYSONE
    • 2-dehydroxyecdysterone
    • A,14,20,22(R),25-Pentahydroxy-5
    • A,7-cholesten-6-one
    • A-cholest-7-en-6-one
    • dehydroxycrustecdysone
    • 2-Deoxyecdysterone
    • 2-Deoxycrustecdysone
    • 3β,14,20,22(R),25-Pentahydroxy-5β,7-cholesten-6-one
    • 3β,14,20,22(R),25-Pentahydroxy-5β-cholest-7-en-6-one
    • 3BETA,14,20,22[R],25-PENTAHYDROXY-5BETA-CHOLEST-7-EN-6-ONE
    • (22R)-3β,14α,20β,22,25-Pentahydroxy-5β-cholesta-7-ene-6-one
    • 3β,14,20,22(R),25-Pentahydroxy-5β,7-cholesten-6-one, 3β,14,20,22(R),25-Pentahydroxy-5β-cholest-7-en-6-one
    • 2-deoxy-20-hydroxyecdysone approx. 80%
    • 17942-08-4
    • 1-Bromo-5-tert-butyl-4-methoxy-2-nitro-benzene
    • CHEMBL2087143
    • DTXSID70432733
    • 22785-88-2
    • Inchi： 1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1
    • InChI Key： JNTQSSGVHLUIBL-GLPVALQZSA-N
    • SMILES： O[C@@]12CC[C@H]([C@](C)([C@@H](CCC(C)(C)O)O)O)[C@@]1(C)CC[C@H]1C2=CC([C@@H]2C[C@H](CC[C@]12C)O)=O

Computed Properties

  • Exact Mass: 464.31400
  • Monoisotopic Mass: 464.31378912g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 5
  • Complexity: 837
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 118?2

Experimental Properties

  • PSA: 118.22000
  • LogP: 2.88320

Cholest-7-en-6-one,3,14,20,22,25-pentahydroxy-, (3b,5b,22R)- Security Information

  • WGK Germany：3
  • Storage Condition：2-8°C

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