Cas no 137131-18-1 (TRIPTRIOLIDE)

TRIPTRIOLIDE structure
TRIPTRIOLIDE structure
Product Name:TRIPTRIOLIDE
CAS No:137131-18-1
MF:C20H26O7
MW:378.416246891022
CID:2735912
PubChem ID:58636974
Update Time:2024-11-06

TRIPTRIOLIDE Chemical and Physical Properties

Names and Identifiers

    • TRIPTRIOLIDE
    • DTXSID801318060
    • 137131-18-1
    • CHEBI:132336
    • DYVDZVMUDBCZSA-LZVGCMTRSA-N
    • (1aS,1bS,6bS,7aS,8aS,9R,10S,11R,11aS)-9,10,11-trihydroxy-1b-methyl-10-(propan-2-yl)-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-one
    • SCHEMBL14113397
    • CHEMBL4203631
    • Bisoxireno[4b,5:8a,9]phenanthro[1,2-c]furan-4(2H)-one, 1b,3,6,6b,7,7a,9,10,11,11a-decahydro-9,10,11-trihydroxy-1b-methyl-10-(1-methylethyl)-, (1aS,1bS,6bS,7aS,8aS,9R,10S,11R,11aS)-
    • (1aS,1bS,6bS,7aS,8aS,9R,10S,11R,11aS)-9,10,11-trihydroxy-1b-methyl-10-(propan-2-yl)-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno(8a,9:4b,5)phenanthro(1,2-c)furan-4(2H)-one
    • (1S,2S,4S,5R,6S,7R,8S,10S,12S)-5,6,7-trihydroxy-1-methyl-6-propan-2-yl-3,9,15-trioxahexacyclo(10.7.0.02,4.02,8.08,10.013,17)nonadec-13(17)-en-16-one
    • (1S,2S,4S,5R,6S,7R,8S,10S,12S)-5,6,7-trihydroxy-1-methyl-6-propan-2-yl-3,9,15-trioxahexacyclo[10.7.0.02,4.02,8.08,10.013,17]nonadec-13(17)-en-16-one
    • Inchi: 1S/C20H26O7/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,21,23-24H,4-7H2,1-3H3/t11-,12-,13+,14-,16+,17-,18-,19+,20+/m0/s1
    • InChI Key: DYVDZVMUDBCZSA-LZVGCMTRSA-N
    • SMILES: O1[C@@]2([H])[C@]([H])([C@@](C([H])(C([H])([H])[H])C([H])([H])[H])([C@]([H])([C@]34[C@]([H])(C([H])([H])[C@@]5([H])C6C([H])([H])OC(C=6C([H])([H])C([H])([H])[C@]5(C([H])([H])[H])[C@@]132)=O)O4)O[H])O[H])O[H]

Computed Properties

  • Exact Mass: 378.16785316g/mol
  • Monoisotopic Mass: 378.16785316g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 1
  • Complexity: 806
  • 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
  • XLogP3: -0.8
  • Topological Polar Surface Area: 112?2
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