Cas no 9000-55-9 (Podophyllin)

Podophyllin structure
Podophyllin structure
Product Name:Podophyllin
CAS No:9000-55-9
MF:C88H92O34
MW:1693.65170955658
MDL:MFCD00131926
CID:48112
PubChem ID:11979494
Update Time:2025-04-18

Podophyllin Chemical and Physical Properties

Names and Identifiers

    • Podophylline
    • 8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid,5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,
    • Podophyllin
    • PODOPHYLLIN(RG)
    • PODOPHYLLUM RESIN
    • DB09094
    • 8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid;5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
    • EN300-28266020
    • AKOS040764336
    • bis(16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1(9),2,7-trien-12-one); bis(8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxylic acid)
    • Q22075831
    • 9000-55-9
    • KOUZYZCESNTXJO-UHFFFAOYSA-N
    • MDL: MFCD00131926
    • Inchi: 1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3
    • InChI Key: KOUZYZCESNTXJO-UHFFFAOYSA-N
    • SMILES: O1C(C2C(C3C=C(C(=C(C=3)OC)OC)OC)C3C=C4C(=CC=3C(C2C1)O)OCO4)=O.O1C(C2C(C3C=C(C(=C(C=3)OC)OC)OC)C3C=C4C(=CC=3C(C2C1)O)OCO4)=O.OC1C2C=C3C(=CC=2C(C2C=C(C(=C(C=2)OC)OC)OC)C(C(=O)O)C1CO)OCO3.OC1C2C=C3C(=CC=2C(C2C=C(C(=C(C=2)OC)OC)OC)C(C(=O)O)C1CO)OCO3

Computed Properties

  • Exact Mass: 1692.547
  • Monoisotopic Mass: 1692.547
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 34
  • Heavy Atom Count: 122
  • Rotatable Bond Count: 20
  • Complexity: 1240
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 16
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 433

Experimental Properties

  • Color/Form: Not determined
  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents.
  • PSA: 433.18000
  • LogP: 8.67700
  • Vapor Pressure: Not available

Podophyllin Security Information

Podophyllin Pricemore >>

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