Cas no 136565-73-6 (Anemarsaponin E)

Anemarsaponin E structure
Anemarsaponin E structure
Product Name:Anemarsaponin E
CAS No:136565-73-6
MF:C46H78O19
MW:935.100137233734
MDL:MFCD20527283
CID:820419
Update Time:2024-11-02

Anemarsaponin E Chemical and Physical Properties

Names and Identifiers

    • (3β,5β,25S)-26-(β-D-Glucopyranosyloxy)-22-methoxyfurostan-3-yl 2- O-β-D-glucopyranosyl-β-D-galactopyranoside
    • Anemarsaponin E
    • Naphtho(1,2-c)furan-3(1H)-one,8-(2,5-dihydro-2-oxo-3-furanyl)-1-(3-furanyl)-6,7,8,9-tetrahydro-,(1R-cis)
    • Tilifodiolide
    • tilivalline
    • Timosaponin B-I
    • Timosaponin B I
    • (3beta,5beta,25S)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-Galactopyranoside
    • (2R,3R,4S,5S,6R)-2-[(2S)-4-[(4S,6R,7S,8R,9S,13S)-16-[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl
    • MDL: MFCD20527283
    • Inchi: 1S/C46H78O19/c1-20(19-59-41-38(56)35(53)32(50)28(16-47)61-41)8-13-46(58-5)21(2)31-27(65-46)15-26-24-7-6-22-14-23(9-11-44(22,3)25(24)10-12-45(26,31)4)60-43-40(37(55)34(52)30(18-49)63-43)64-42-39(57)36(54)33(51)29(17-48)62-42/h20-43,47-57H,6-19H2,1-5H3
    • InChI Key: FDASUPFDHLZNSK-UHFFFAOYSA-N
    • SMILES: COC1(C(C)C2C(CC3C2(C)CCC2C3CCC3C2(C)CCC(OC2C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O2)C3)O1)CCC(COC1C(O)C(O)C(O)C(CO)O1)C

Computed Properties

  • Exact Mass: 934.51400
  • Monoisotopic Mass: 934.51373025 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 14
  • Complexity: 1580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 22
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 296
  • Molecular Weight: 935.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.42
  • Melting Point: 170-180 oC
  • PSA: 296.37000
  • LogP: -1.12510

Anemarsaponin E Security Information

  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Anemarsaponin E Pricemore >>

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