Cas no 42521-95-9 (Daphnilongeranin D)

Daphnilongeranin D structure
Daphnilongeranin D structure
Product Name:Daphnilongeranin D
CAS No:42521-95-9
MF:C30H47NO4
MW:485.698489427567
CID:6767846
Update Time:2024-03-03

Daphnilongeranin D Chemical and Physical Properties

Names and Identifiers

    • daphnilongeranin D
    • Daphnilongeranin D
    • Inchi: 1S/C30H47NO4/c1-18(2)20-9-12-27(4)19-8-14-29-11-6-7-22(29)30(27,24(20)31(29)16-19)15-21(32)25(33)26(3)17-34-28(5)13-10-23(26)35-28/h18-24,32H,6-17H2,1-5H3/t19-,20-,21-,22-,23+,24+,26-,27+,28-,29-,30+/m0/s1
    • InChI Key: MZFIJLHWABOTEH-AQWSEZNASA-N
    • SMILES: [C@@]12([C@H]3CC[C@]45N(C3)[C@H]([C@H](C(C)C)CC1)[C@]2([C@H]4CCC5)C[C@@H](C([C@@]1([C@@H]2O[C@@](C)(CC2)OC1)C)=O)O)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • XLogP3: 4.88
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