Cas no 207679-46-7 (Phenochalasin B)

Phenochalasin B structure
Phenochalasin B structure
Product Name:Phenochalasin B
CAS No:207679-46-7
MF:C29H35NO8
MW:525.591210018346
CID:6765572

Phenochalasin B Chemical and Physical Properties

Names and Identifiers

    • Mer-WF-1726
    • Phenochalasin B
    • Inchi: InChI=1S/C29H35NO8/c1-16-7-6-8-20-24-28(4,37-24)17(2)22-21(15-18-9-11-19(35-5)12-10-18)30-25(32)29(20,22)38-26(33)36-14-13-27(3,34)23(16)31/h6,8-14,16-17,20-22,24,34H,7,15H2,1-5H3,(H,30,32)
    • InChI Key: LVWIBRGJAUUGDB-UHFFFAOYSA-N
    • SMILES: C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=C(C=C5)OC)OC(=O)O/C=C/[C@@](C1=O)(C)O)C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 38
  • XLogP3: 1.92
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