Chem
J-GLOBAL ID：200907018134714383   Nikkaji number：J643.331F

Ophiobolin A lactone

オフィオボリンAラクトン
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： C25H36O4
Molecular formula furigana： C25-H36-O4
Molecular weight： 400.559
InChI： InChI=1S/C25H36O4/c1-14(2)10-16-11-15(3)25(29-16)9-8-23(4)12-18-21-17(6-7-20(23)25)22(26)28-19(21)13-24(18,5)27/h6,10,15-16,18-21,27H,7-9,11-13H2,1-5H3/t15-,16-,18-,19?,20+,21+,23+,24+,25-/m0/s1
InChI key： JRMCJWMKLHLRLM-SSBYBTDRSA-N
SMILES： C[C@H]1C[C@@H](O[C@]21CC[C@]1(C)C[C@H]3[C@@H]4C(C[C@@]3(C)O)OC(=O)C4=CC[C@@H]21)C=C(C)C
Systematic name  (3)：
  • (18R)-14,18-エポキシ-3,5-ジヒドロキシオフィオボラ-7,19-ジエン-25-酸γ-ラクトン
  • (1'S,2S,3S,3'R,5R,7'R,15'R,16'S)-15'-ヒドロキシ-3,3',15'-トリメチル-5-(2-メチルプロパ-1-エン-1-イル)-12'-オキサスピロ[オキソラン-2,6'-テトラシクロ[8.5.1.03,7.013,16]ヘキサデカン]-9'-エン-11'-オン
  • (1'S,2S,3S,3'R,5R,7'R,15'R,16'S)-15'-hydroxy-3,3',15'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxaspiro[oxolane-2,6'-tetracyclo[8.5.1.03,7.013,16]hexadecan]-9'-en-11'-one
Other name (2)：
  • オフィオボリンAラクトン
  • Ophiobolin A lactone
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