Taraxerone[蒲公英酮]

Taraxerone[蒲公英酮]

CAS:514-07-8

SKU： NCC.514.07.8 分类：
保证安全结账

CAS Registry Number®

514-07-8

CAS Name

Taraxerone

Molecular Formula

C30H48O

Molecular Mass

424.70

Compound Properties

  • Melting Point (1)

    241-243 °C

Source(s)

  • (1) Takeda, Keinosuke; Yakugaku Zasshi, (1941), 61, 117-23;63-5, CAplus

Other Names and Identifiers

InChI

InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1

InChIKey

InChIKey=DBCAVZSSFGIHQZ-YLAYQGCQSA-N

SMILES

C[C@]12C=3[C@](C)([C@]4([C@@](C)(CC3)CCC(C)(C)C4)[H])CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)C(=O)CC5)[H])[H]

Canonical SMILES

O=C1CCC2(C)C(CCC3(C4=CCC5(C)CCC(C)(C)CC5C4(C)CCC32)C)C1(C)C

Other Names for this Substance

  • 27-Norolean-14-en-3-one, 13-methyl-, (13α)-
  • Taraxerone
  • D-Friedoolean-14-en-3-one
  • (13α)-13-Methyl-27-norolean-14-en-3-one
  • Skimmione
  • Taraxer-14-en-3-one
  • Δ14-Taraxen-3-one
  • Taraxeron
  • 3(2H)-Picenone, 1,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4,4,6a,8a,11,11,12b,14b-octamethyl-, [4aR-(4aα,6aβ,8aβ,12aβ,12bα,14aα,14bβ)]-
  • 3(2H)-Picenone, 1,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-4,4,6a,8a,11,11,12b,14b-octamethyl-, (4aR,6aR,8aR,12aR,12bS,14aR,14bR)-
  • Taraxer-3-one

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