Chem
J-GLOBAL ID：200907037062524074   Nikkaji number：J18.553A

Austroinulin

アウストロイヌリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C20H34O3
Molecular formula furigana： C20-H34-O3
Molecular weight： 322.489
InChI： InChI=1S/C20H34O3/c1-7-13(2)9-10-14-19(5)12-8-11-18(3,4)16(19)15(21)17(22)20(14,6)23/h7,9,14-17,21-23H,1,8,10-12H2,2-6H3/b13-9-/t14-,15-,16+,17+,19-,20+/m0/s1
InChI key： JEZOMVOAWYLQAJ-CVYKSZLNSA-N
SMILES： C/C(=C/C[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)/C=C
Systematic name  (3)：
  • (1S,8aα)-デカヒドロ-3,4aβ,8,8-テトラメチル-4β-[(Z)-3-メチル-2,4-ペンタジエニル]-1α,2β,3α-ナフタレントリオール
  • (1S,2R,3R,4S,4aR,8aR)-3,4a,8,8-テトラメチル-4-[(2Z)-3-メチルペンタ-2,4-ジエン-1-イル]-デカヒドロナフタレン-1,2,3-トリオール
  • (1S,2R,3R,4S,4aR,8aR)-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dien-1-yl]-decahydronaphthalene-1,2,3-triol
Other name (3)：
  • アウストロイヌリン
  • Austroinulin
  • (1S,8aα)-Decahydro-3,4aβ,8,8-tetramethyl-4β-[(Z)-3-methyl-2,4-pentadienyl]-1α,2β,3α-naphthalenetriol
CAS registry number： 62868-75-1
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