Cas no 1000995-49-2 (Chloramultilide D)

Chloramultilide D structure
Chloramultilide D structure
Product Name:Chloramultilide D
CAS No:1000995-49-2
MF:C35H40O11
MW:636.68551158905
CID:1080745
PubChem ID:24763323
Update Time:2025-04-20

Chloramultilide D Chemical and Physical Properties

Names and Identifiers

    • Chloramultilide D
    • ((1aR,1bS,2R,2aS,5cR,9aR,10S,10aS,11aR,11bS,11cS,12aS,12bS)-2,2a,10,12a-tetrahydroxy-8-(hydroxymethyl)-1b,5,11b-trimethyl-4,7-dioxo-1,1a,1b,2,2a,4,7,9,9a,10,10a,11,11a,11b,11c,12,12a,12b-octadecahydrocyclopropa[4',5']cyclopenta[1',2':7,8]cyclopropa[4,5]acephenanthryleno[2,1-b:10a,10-b']difuran-10-yl)methyl (E)-2-methylbut-2-enoate
    • Henriol B
    • [ "" ]
    • AKOS032949108
    • HY-N3576
    • 1000995-49-2
    • F92714
    • CS-0023872
    • CHEMBL1097993
    • [(2R,8R,9S,10S,12R,13S,14S,16S,17S,19R,20S,21R,22S)-9,16,21,22-tetrahydroxy-5-(hydroxymethyl)-13,20,25-trimethyl-4,24-dioxo-3,23-dioxanonacyclo[14.10.1.02,6.02,14.08,13.010,12.017,19.020,27.022,26]heptacosa-1(27),5,25-trien-9-yl]methyl (E)-2-methylbut-2-enoate
    • (-)-Chloramultilide D
    • (-)-Henriol B
    • DA-62273
    • Inchi: 1S/C35H40O11/c1-6-13(2)26(37)44-12-33(42)20-7-17(20)30(4)21(33)9-16-15(11-36)28(39)45-34(16)22(30)10-32(41)19-8-18(19)31(5)25(32)24(34)23-14(3)27(38)46-35(23,43)29(31)40/h6,17-22,29,36,40-43H,7-12H2,1-5H3/b13-6+/t17-,18-,19+,20+,21-,22+,29-,30+,31+,32+,33+,34+,35+/m1/s1
    • InChI Key: JDNYCIQWGHMSPJ-ANOWQDLRSA-N
    • SMILES: O1C(C(CO)=C2C[C@H]3[C@](COC(/C(=C/C)/C)=O)([C@H]4C[C@H]4[C@]3(C)[C@@H]3C[C@]4(C5=C(C6=C(C)C(=O)O[C@@]6([C@@H]([C@@]5(C)[C@@H]5C[C@H]45)O)O)[C@@]132)O)O)=O

Computed Properties

  • Exact Mass: 636.25700
  • Monoisotopic Mass: 636.25706209g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 5
  • Complexity: 1740
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 180?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.57±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.34 g/l) (25 o C),
  • PSA: 180.05000
  • LogP: 1.12730

Chloramultilide D Security Information

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