Cas no 54980-22-2 (Physalin D)

Physalin D structure
Physalin D structure
Product Name:Physalin D
CAS No:54980-22-2
MF:C28H32O11
MW:544.5471
CID:943164
PubChem ID:70698073
Update Time:2024-11-03

Physalin D Chemical and Physical Properties

Names and Identifiers

    • 16,24-cyclo-13,14-secoergost-2-ene-18,26-dioic Acid, 14,17_14,27-diepoxy-5,6,13,20,22-pentahydroxy-1,15-dioxo-, .γ.-lactone .δ.-lactone, (5.α.,6.β.,14.α.,16.β.,22.α.,25s)-
    • Nsc288728
    • PHYSALIN D
    • 2-(5-chloro-4-(trifluoromethyl)-2-nitrophenyl)acet
    • CHEBI:69018
    • 5alpha,6beta-dihydroxy-5,6-dihydrophysalin B
    • Q27137362
    • 54980-22-2
    • FS-8062
    • NS00093772
    • SCHEMBL15853689
    • CHEMBL1969989
    • (2S,5S,8S,9R,14R,15R,17R,21S,24R,27S)-5,14,15-Trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
    • 16,14-secoergost-2-ene-18,26-dioic acid, 14,17:14,27-diepoxy-5,6,13,20,22-pentahydroxy-1,15-dioxo-, .gamma.-lactone, .delta.-lactone
    • (1R,2S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27S)-5,14,15-Trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
    • 16,14-secoergost-2-ene-18,26-dioic acid, 14,17:14,27-diepoxy-5,6,13,20,22-pentahydroxy-1,15-dioxo-, .gamma.-lactone .delta.-lactone, (5.alpha.,6.beta.,14.alpha.,16.beta.,22.alpha.,25S)-
    • NSC-288728
    • 5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
    • CS-0204089
    • AKOS040762188
    • HY-N9912
    • CHEMBL4851096
    • Physalin D
    • Inchi: 1S/C28H32O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h4-5,12-14,16-18,30,34-35H,6-11H2,1-3H3
    • InChI Key: DUGJJSWZRHBJJK-UHFFFAOYSA-N
    • SMILES: O1C23C(C4([H])C5(C([H])([H])[H])C([H])(C(=O)OC([H])(C5([H])[H])C5(C([H])([H])[H])C14C(C(=O)O5)(C([H])([H])C([H])([H])C1([H])C4(C(C([H])=C([H])C([H])([H])C4(C([H])(C([H])([H])C21[H])O[H])O[H])=O)C([H])([H])[H])O[H])C([H])([H])O3)=O

Computed Properties

  • Exact Mass: 544.19400
  • Monoisotopic Mass: 544.19446183g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 0
  • Complexity: 1330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 13
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 166
  • XLogP3: -0.8

Experimental Properties

  • Color/Form: Powder
  • Density: 1.6
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.672
  • PSA: 165.89000
  • LogP: -0.27740

Physalin D Pricemore >>

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