Cas no 117456-85-6 (Kaur-16-en-15-one,7,20-epoxy-6,7,11,14-tetrahydroxy-, (6b,7a,11a,14R)- (9CI))

Kaur-16-en-15-one,7,20-epoxy-6,7,11,14-tetrahydroxy-, (6b,7a,11a,14R)- (9CI) structure
117456-85-6 structure
Product Name:Kaur-16-en-15-one,7,20-epoxy-6,7,11,14-tetrahydroxy-, (6b,7a,11a,14R)- (9CI)
CAS No:117456-85-6
MF:C20H28O6
MW:364.432726860046
CID:195341
Update Time:2024-03-01

Kaur-16-en-15-one,7,20-epoxy-6,7,11,14-tetrahydroxy-, (6b,7a,11a,14R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Kaur-16-en-15-one,7,20-epoxy-6,7,11,14-tetrahydroxy-, (6b,7a,11a,14R)- (9CI)
    • 6,11b-(Epoxymethano)-6a,9-methano-1H-cyclohepta[a]naphthalene,kaur-16-en-15-one deriv.
    • Longikaurin G
    • Kaur-16-en-15-one, 7,20-epoxy-6,7,11,14-tetrahydroxy-, (6β,7α,11α,14R)-
    • Inchi: 1S/C20H28O6/c1-9-10-7-11(21)12-18-6-4-5-17(2,3)13(18)16(24)20(25,26-8-18)19(12,14(9)22)15(10)23/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11+,12-,13+,15?,16-,18+,19-,20+/m0/s1
    • InChI Key: AOUAZUQTHDBROH-NKCHJZMDSA-N
    • SMILES: O[C@@]12OC[C@]3(CCCC(C)(C)[C@@]3([H])[C@@H]1O)[C@]1([H])[C@@H](C[C@@]3([H])C(=C)C(=O)[C@@]21C3([H])O)O

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.42±0.1 g/cm3(Predicted)
  • Boiling Point: 593.3±50.0 °C(Predicted)
  • PSA: 52.54
  • pka: 10.95±0.70(Predicted)
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