Cas no 890928-81-1 (24,25-Epoxytirucall-7-en-3,23-dione)

24,25-Epoxytirucall-7-en-3,23-dione structure
890928-81-1 structure
Product Name:24,25-Epoxytirucall-7-en-3,23-dione
CAS No:890928-81-1
MF:C30H44O3
MW:452.668569564819
CID:836956
PubChem ID:124524253
Update Time:2024-10-26

24,25-Epoxytirucall-7-en-3,23-dione Chemical and Physical Properties

Names and Identifiers

    • 24,25-Epoxytirucall-7-en-3,23-dione
    • (13α,14β,17α,20S)-24,25-Epoxylanost-7-ene-3,23-dione
    • (13α,14β,17α,20S,24S)-24,25-Epoxylanost-7-ene-3,23-dione (ACI)
    • 24,25-Epoxytirucall-7-ene-3,23-dione
    • AKOS040761031
    • 890928-81-1
    • DTXSID501201127
    • (13alpha,14beta,17alpha,20S,24S)-24,25-Epoxylanost-7-ene-3,23-dione
    • [ "" ]
    • CID 91895452
    • (5R,9R,10R,13S,14S,17S)-17-[(2S)-4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • AKOS032962345
    • Inchi: 1S/C30H44O3/c1-18(16-22(31)24-25(2,3)33-24)19-8-12-27(5)20-10-15-30-17-29(30,7)23(32)11-14-28(30,6)21(20)9-13-26(19,27)4/h10,18-19,21,24H,8-9,11-17H2,1-7H3/t18-,19-,21-,24+,26-,27+,28+,29?,30-/m0/s1
    • InChI Key: FIETVZSPNRFXIJ-SZFDTUNUSA-N
    • SMILES: C1(C)(C)[C@@H](C(=O)C[C@@H]([C@]2([C@]3([C@@](CC2)(C)C2[C@@]([C@]4(CCC(C5([C@@]4(CC=2)C5)C)=O)C)(CC3)[H])C)[H])C)O1

Computed Properties

  • Exact Mass: 454.34500
  • Monoisotopic Mass: 454.345
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 4
  • Complexity: 912
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.7A^2
  • XLogP3: 6.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 534.3±50.0 °C at 760 mmHg
  • Flash Point: 224.0±30.2 °C
  • PSA: 46.67000
  • LogP: 6.93340
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

24,25-Epoxytirucall-7-en-3,23-dione Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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24,25-Epoxytirucall-7-en-3,23-dione
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TargetMol Chemicals
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Key Organics Ltd
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