Cas no 51804-69-4 (Dihydrooxoepistephamiersine)

Dihydrooxoepistephamiersine structure
Dihydrooxoepistephamiersine structure
Product Name:Dihydrooxoepistephamiersine
CAS No:51804-69-4
MF:C21H27NO7
MW:405.441586732864
CID:837579
PubChem ID:91895296
Update Time:2025-07-01

Dihydrooxoepistephamiersine Chemical and Physical Properties

Names and Identifiers

    • Dihydrooxoepistephamiersine
    • (6β,7β,8β,10β)-6-Hydroxy-3,4,7,8-tetramethoxy-17-methyl-8,10-epox yhasubanan-16-one
    • C21H27NO7
    • W1201
    • 51804-69-4
    • (1R,8S,10S,11R,12S,13S)-13-hydroxy-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-16-one
    • 4H,6H-3a,6-Methano-4,10b-propano-1H-[2]benzoxepino[4,5-b]pyrrole, hasubanan-16-one deriv.
    • DTXSID001125310
    • Hasubanan-16-one, 8,10-epoxy-6-hydroxy-3,4,7,8-tetramethoxy-17-methyl-, (6I(2),7I(2),8I(2),10I(2))-
    • AKOS032962340
    • [ "" ]
    • Inchi: 1S/C21H27NO7/c1-22-15(24)10-19-8-12(23)18(27-4)21(28-5)20(19,22)9-14(29-21)11-6-7-13(25-2)17(26-3)16(11)19/h6-7,12,14,18,23H,8-10H2,1-5H3/t12-,14-,18-,19+,20-,21-/m0/s1
    • InChI Key: OUWUCZBFYDREBB-XDBOFGOVSA-N
    • SMILES: O1[C@@H]2C3C=CC(=C(C=3[C@@]34CC(N(C)[C@]3(C2)[C@@]1([C@H]([C@H](C4)O)OC)OC)=O)OC)OC

Computed Properties

  • Exact Mass: 405.179
  • Monoisotopic Mass: 405.179
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 705
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 86.7
  • XLogP3: -0.1

Experimental Properties

  • Color/Form: Powder
  • PSA: 86.69000
  • LogP: 1.07770

Dihydrooxoepistephamiersine Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Dihydrooxoepistephamiersine Pricemore >>

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