Cas no 77011-62-2 (2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)-)

2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)- structure
77011-62-2 structure
Product Name:2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)-
CAS No:77011-62-2
MF:C28H38O6
MW:470.597729206085
CID:572137
PubChem ID:156929
Update Time:2025-04-19

2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)- Chemical and Physical Properties

Names and Identifiers

    • 2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)-
    • acnistin A
    • Androst-2-en-1one, 5,16-epoxy-17-hydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo(3.2.1)oct-7-yl)-, (5beta,6beta,17beta,17(1R,4R,5R,7S))-
    • (2R,7S,9S,15S,16S)-15-hydroxy-15-[(1R,4R,5R,7S)-4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
    • DTXSID60998297
    • 77011-62-2
    • 17-Hydroxy-17-(4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)-5,6-epoxyandrost-2-en-1-one
    • Inchi： 1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15?,16?,17?,18-,19+,21-,23+,24-,25-,26-,27-,28+/m0/s1
    • InChI Key： RNORCGKHUAMBKR-APLCASCJSA-N
    • SMILES： O1[C@H]2CC3C(CC[C@]4(C)[C@](CCC43)([C@@H]3[C@H]4C[C@](C)([C@](C)(C(=O)O4)O)C3)O)[C@]3(C(C=CC[C@]132)=O)C

Computed Properties

  • Exact Mass: 470.26683893g/mol
  • Monoisotopic Mass: 470.26683893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 96.4?2

2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)- Related Literature

Related Categories

77011-62-2 (2-Oxabicyclo[3.2.1]octan-3-one,7-[(5b,6b,17b)-5,6-epoxy-17-hydroxy-1-oxoandrost-2-en-17-yl]-4-hydroxy-4,5-dimethyl-,(1R,4R,5R,7S)-) Related Products

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