Chem
J-GLOBAL ID：201707011809570163   Nikkaji number：J3.659.914F

Iriomoteolide 9a

イリオモテオリド9a
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： C22H34O5
Molecular formula furigana： C22-H34-O5
Molecular weight： 378.509
InChI： InChI=1S/C22H34O5/c1-6-7-13(3)16-9-8-12(2)10-17-18(25-17)11-14(4)20-21(27-20)19(23)15(5)22(24)26-16/h8-9,13-21,23H,2,6-7,10-11H2,1,3-5H3/b9-8+/t13-,14?,15+,16+,17-,18+,19-,20+,21+/m0/s1
InChI key： RGTLDDPSOUAZHT-ZRXAXZNJSA-N
SMILES： CCC[C@H](C)[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H]2O[C@@H]2C(C)C[C@H]2O[C@H]2CC(=C)/C=C/1
Systematic name  (3)：
  • (2R,3S,4R,5R,8R,9S,12E,14S,15S)-2,6,15-トリメチル-3,14-ジヒドロキシ-11-メチレン-4,5:8,9-ジエポキシ-12-オクタデセン酸1,14-ラクトン
  • (1R,4R,6R,7S,8R,11S,12E,16S)-7-ヒドロキシ-3,8-ジメチル-14-メチリデン-11-[(2S)-ペンタン-2-イル]-5,10,17-トリオキサトリシクロ[14.1.0.04,6]ヘプタデカ-12-エン-9-オン
  • (1R,4R,6R,7S,8R,11S,12E,16S)-7-hydroxy-3,8-dimethyl-14-methylidene-11-[(2S)-pentan-2-yl]-5,10,17-trioxatricyclo[14.1.0.04,6]heptadec-12-en-9-one
Other name (3)：
  • (2R,3S,4R,5R,8R,9S,12E,14S,15S)-2,6,15-Trimethyl-3,14-dihydroxy-11-methylene-4,5:8,9-diepoxy-12-octadecenoic acid 1,14-lactone
  • イリオモテオリド9a
  • Iriomoteolide 9a
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