Cas no 138683-58-6 ((1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione)

(1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione structure
138683-58-6 structure
Product Name:(1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione
CAS No:138683-58-6
MF:C20H24O10
MW:424.398567199707
CID:1264950
PubChem ID:3071735
Update Time:2025-04-20

(1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione Chemical and Physical Properties

Names and Identifiers

    • (1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione
    • Pasakbumin-B
    • DTXSID70930188
    • Picras-3-ene-2,16-dione, 11,20:13,21-diepoxy-1,11,12,14,15-pentahydroxy-, (1-beta,11-beta,12-alpha,13-beta,15-beta)-
    • 1,2,3a,4,11-Pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-3,2'-oxirane]-5,10(4H,6aH)-dione
    • 138683-58-6
    • MDL： MFCD09264649
    • Inchi： 1S/C20H24O10/c1-7-3-9(21)11(22)16(2)8(7)4-10-19-14(16)17(26,5-29-19)15(25)18(6-28-18)20(19,27)12(23)13(24)30-10/h3,8,10-12,14-15,22-23,25-27H,4-6H2,1-2H3/t8-,10?,11+,12-,14-,15-,16+,17+,18-,19?,20+/m0/s1
    • InChI Key： WWWSEYPAQRJFGL-BSRDCZCTSA-N
    • SMILES： O1C[C@@]2([C@@H]([C@@]3(CO3)[C@@]3([C@H](C(=O)OC4C[C@H]5C(C)=CC([C@H]([C@]5(C)[C@@H]2C134)O)=O)O)O)O)O

Computed Properties

  • Exact Mass: 424.13692
  • Monoisotopic Mass: 424.13694696g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 0
  • Complexity: 933
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.6
  • Topological Polar Surface Area: 166?2

Experimental Properties

  • PSA: 166.28

(1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione Related Literature

138683-58-6 ((1S,2S,3S,3aS,4R,6aR,7aS,11S,11aS,11bS)-1,2,3a,4,11-pentahydroxy-8,11a-dimethyl-1,7,7a,11,11a,11b-hexahydro-2H,3aH-spiro[11c,1-(epoxymethano)dibenzo[de,g]chromene-3,2'-oxirane]-5,10(4H,6aH)-dione) Related Products

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