Cas no 36983-69-4 (Actodigin)

Actodigin structure
Actodigin structure
Product Name:Actodigin
CAS No:36983-69-4
MF:C29H44O9
MW:536.654270172119
CID:306642
PubChem ID:11954272
Update Time:2025-04-19

Actodigin Chemical and Physical Properties

Names and Identifiers

    • 24-Norchol-20(22)-en-21-oicacid, 3-(b-D-glucopyranosyloxy)-14,23-dihydroxy-,g-lactone, (3b,5b,14b)-
    • 24-Nor-5,14-chol-20(22)-en-21-oic acid, 3-(.β.-D-glucopyranosyloxy)-14,23-dihydroxy-, .γ.-lactone, (3.β.,5.β.,14.β.)-
    • 24-Norchol-20(22)-en-21-oicacid, 3-(b-D-glucopyranosyloxy)-14,23-dihydroxy-,g-lactone, (3b,5b,...
    • (3beta,5beta,14beta,17beta)-14-Hydroxy-17-(2-oxo-2,5-dihydrofuran-3-yl)androstan-3-yl hexopyranoside
    • A 15920K644
    • Actinogan
    • Actinogen
    • Actodigin
    • Aids012089
    • Aids-012089
    • AY-22241
    • Nsc53396
    • Q27272431
    • 3 beta-D-glucopyranosyl-14 beta,24-dihydroxy-21,23-bisnor-5 beta-chol-20(22)-ene-20-carboxylic acid gamma-lactone
    • NSC 53396
    • 9E4KL95FK9
    • AY 22241
    • Actodigino
    • 36983-69-4
    • AY-22,241
    • 3-O-(beta-D-Glucopyranosyl)digitoxigenin
    • Actodigin [USAN:INN]
    • Actodigin (USAN/INN)
    • NSC-53396
    • 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    • Actodigine
    • 24-Nor-5,14-chol-20(22)-en-21-oic acid, 3-(beta-D-glucopyranosyloxy)-14,23-dihydroxy-, gamma-lactone, (3beta,5beta,14beta)-
    • AY 22,241
    • 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
    • UNII-9E4KL95FK9
    • ACTODIGIN [USAN]
    • CHEMBL2103957
    • 3beta-(beta-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5beta,14beta-chol-20(22)-en-21-oic acid gamma-lactone
    • D02763
    • CHEBI:177433
    • Actodigino [INN-Spanish]
    • ACTODIGIN [INN]
    • Actodiginum
    • 24-Nor-5,14-chol-20(22)-en-21-oic acid, 3-(.beta.-D-glucopyranosyloxy)-14,23-dihydroxy-, .gamma.-lactone, (3.beta.,5.beta.,14.beta.)-
    • 3.beta.-(.beta.-D-Glucopyranosyloxy)-14,23-dihydroxy-24-nor-5.beta.,14.beta.-chol-20(22)-en-21-oic acid .gamma.-lactone
    • DTXSID401043283
    • Actodigine [INN-French]
    • Actodiginum [INN-Latin]
    • SCHEMBL122586
    • Inchi: 1S/C29H44O9/c1-27-9-5-16(37-26-24(33)23(32)22(31)21(14-30)38-26)13-15(27)3-4-20-19(27)6-10-28(2)18(7-11-29(20,28)35)17-8-12-36-25(17)34/h8,15-16,18-24,26,30-33,35H,3-7,9-14H2,1-2H3/t15-,16+,18-,19+,20-,21-,22-,23+,24-,26-,27+,28-,29+/m1/s1
    • InChI Key: ACLJAFRNPZVVIW-ADFGDECNSA-N
    • SMILES: O[C@]12CC[C@H](C3C(=O)OCC=3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 536.29900
  • Monoisotopic Mass: 536.299
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 4
  • Complexity: 970
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 146A^2

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.36
  • Boiling Point: 735.2°Cat760mmHg
  • Flash Point: 239.3°C
  • Refractive Index: 1.614
  • PSA: 145.91000
  • LogP: 1.42850

Actodigin Security Information

  • Signal Word:Warning
  • Storage Condition:Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

Actodigin Pricemore >>

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