Chem
J-GLOBAL ID：201607014935677498   Nikkaji number：J3.528.073A

Iriomoteolide 2a

イリオモテオリド2a
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： C33H54O7
Molecular formula furigana： C33-H54-O7
Molecular weight： 562.788
InChI： InChI=1S/C33H54O7/c1-7-26(34)23(5)24(6)31(36)28-16-12-13-20(2)17-29-22(4)18-30(39-29)32-27(35)19-25(38-32)15-11-9-8-10-14-21(3)33(37)40-28/h8-9,17,21-22,24-32,34-36H,5,7,10-16,18-19H2,1-4,6H3/t21-,22-,24-,25-,26-,27+,28+,29+,30+,31-,32-/m1/s1
InChI key： PALIJUYPRSCNEH-DAKABQSLSA-N
SMILES： CC[C@@H](O)C(=C)[C@@H](C)[C@@H](O)[C@@H]1CCCC(=C[C@@H]2O[C@@H](C[C@H]2C)[C@@H]2O[C@@H](C[C@@H]2O)CCC=CCC[C@@H](C)C(=O)O1)C
Systematic name  (3)：
  • (2R,9R,11S,12R,13S,15R,16R,22S,23R,24R,26R)-2,15,18,24-テトラメチル-11,22,23,26-テトラヒドロキシ-9,12:13,16-ジエポキシ-25-メチレン-5,17-オクタコサジエン酸1,22-ラクトン
  • (1R,2S,4R,5R,11S,14R,21R,23S)-11-[(1R,2R,4R)-1,4-ジヒドロキシ-2-メチル-3-メチリデンヘキシル]-23-ヒドロキシ-4,7,14-トリメチル-12,24,25-トリオキサトリシクロ[19.2.1.12,5]ペンタコサ-6,17-ジエン-13-オン
  • (1R,2S,4R,5R,11S,14R,21R,23S)-11-[(1R,2R,4R)-1,4-dihydroxy-2-methyl-3-methylidenehexyl]-23-hydroxy-4,7,14-trimethyl-12,24,25-trioxatricyclo[19.2.1.12,5]pentacosa-6,17-dien-13-one
Other name (5)：
  • (2R,9R,11S,12R,13S,15R,16R,22S,23R,24R,26R)-2,15,18,24-Tetramethyl-11,22,23,26-tetrahydroxy-9,12:13,16-diepoxy-25-methylene-5,17-octacosadienoic acid 1,22-lactone
  • イリオモテオリド2a
  • Iriomoteolide 2a
  • 13,15,16-epi-イリオモテオリド2a
  • 13,15,16-epi-Iriomoteolide 2a
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