Cas no 61520-45-4 ((2R)-2-[(5alpha,18R)-6-methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-5-methylhexan-2-ol)

(2R)-2-[(5alpha,18R)-6-methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-5-methylhexan-2-ol structure
61520-45-4 structure
Product Name:(2R)-2-[(5alpha,18R)-6-methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-5-methylhexan-2-ol
CAS No:61520-45-4
MF:C35H45NO4
MW:543.736110448837
CID:1627533
PubChem ID:3046082
Update Time:2025-04-21

(2R)-2-[(5alpha,18R)-6-methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-5-methylhexan-2-ol Chemical and Physical Properties

Names and Identifiers

    • (2R)-2-[(5alpha,18R)-6-methoxy-17-methyl-3-(2-phenylethoxy)-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-5-methylhexan-2-ol
    • DTXSID00977086
    • 61520-45-4
    • 6,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-(3-methylbutyl)-3-(2-phenylethoxy)-, (5-alpha,7-alpha(R))-
    • 2-[6-Methoxy-17-methyl-3-(2-phenylethoxy)-4,5-epoxy-6,14-ethenomorphinan-7-yl]-5-methylhexan-2-ol
    • Inchi: 1S/C35H45NO4/c1-23(2)13-15-32(3,37)27-22-33-16-17-35(27,38-5)31-34(33)18-19-36(4)28(33)21-25-11-12-26(30(40-31)29(25)34)39-20-14-24-9-7-6-8-10-24/h6-12,16-17,23,27-28,31,37H,13-15,18-22H2,1-5H3/t27-,28-,31-,32-,33?,34+,35+/m1/s1
    • InChI Key: PGHHHPSGDOSKJV-QVFYTRFKSA-N
    • SMILES: O1C2=C(C=CC3C[C@@H]4C56C=C[C@]([C@@H]([C@@](C)(CCC(C)C)O)C5)([C@H]1[C@@]6(C=32)CCN4C)OC)OCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 543.33485892g/mol
  • Monoisotopic Mass: 543.33485892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 9
  • Complexity: 978
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.2
  • Topological Polar Surface Area: 51.2?2
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