Chem
J-GLOBAL ID:200907018202832993   Nikkaji number:J184.492J

Australigenin

オーストラリゲニン
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: C27H42O4
Molecular formula furigana: C27-H42-O4
Molecular weight: 430.629
InChI: InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChI key: XLHFBXMTUNORSV-XLVIIDFLSA-N
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CCC(=C)CO2
Systematic name  (3):
  • 5α-スピロスタ-25(27)-エン-1β,3β-ジオール
  • (1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,14'R,16'R,18'S)-7',9',13'-トリメチル-5-メチリデン-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-14',16'-ジオール
  • (1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'S,14'R,16'R,18'S)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosane]-14',16'-diol
Other name (3):
  • Australigenin
  • オーストラリゲニン
  • 5α-Spirost-25(27)-ene-1β,3β-diol
CAS registry number: 90865-22-8
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