Cas no 27934-98-1 (Tarphetalin)

Tarphetalin structure
Tarphetalin structure
Product Name:Tarphetalin
CAS No:27934-98-1
MF:C17H26O11
MW:406.381746768951
CID:258449
Update Time:2025-04-19

Tarphetalin Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-,methyl ester, (1S,4aR,7S,7aR)-
    • (1S)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7aα-hexahydro-4aα,7α-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
    • Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-,methyl ester,
    • ipolamiide
    • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methyl-, methyl ester, [1S-(1α,4aα,7α,7aα)]-
    • Ipolamiide (8CI)
    • Tarphetalin
    • Inchi: 1S/C17H26O11/c1-16(23)3-4-17(24)7(13(22)25-2)6-26-15(12(16)17)28-14-11(21)10(20)9(19)8(5-18)27-14/h6,8-12,14-15,18-21,23-24H,3-5H2,1-2H3/t8-,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1
    • InChI Key: RWMXKBUPLSNIJL-BHBNKKJBSA-N
    • SMILES: O[C@@]12C(C(=O)OC)=CO[C@H]([C@@H]1[C@](C)(CC2)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 406.148
  • Monoisotopic Mass: 406.148
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 639
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.58
  • Boiling Point: 645.8°C at 760 mmHg
  • Flash Point: 230.9°C
  • Refractive Index: 1.624
  • PSA: 175.37000
  • LogP: -2.89180

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