Chem
J-GLOBAL ID：200907005969923400   Nikkaji number：J2.484.202I

Iriomoteolide 1a

イリオモテオリド1a
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： C29H46O7
Molecular formula furigana： C29-H46-O7
Molecular weight： 506.680
InChI： InChI=1S/C29H46O7/c1-18-14-24-11-8-12-25(31)22(5)20(3)16-27(32)35-26(15-21(4)23(6)30)19(2)10-9-13-28(7,33)29(34,17-18)36-24/h8-9,12-13,16,19,21-26,30-31,33-34H,1,10-11,14-15,17H2,2-7H3/b12-8+,13-9+,20-16-/t19-,21-,22+,23-,24-,25+,26+,28+,29-/m0/s1
InChI key： LZLQZSMXUGFMJF-IBPGIMGMSA-N
SMILES： C[C@H](O)[C@@H](C)C[C@H]1OC(=O)/C=C(/C)\[C@@H](C)[C@H](O)/C=C/C[C@H]2CC(=C)C[C@](O)(O2)[C@](C)(O)/C=C/C[C@@H]1C
Systematic name  (3)：
  • (1S,2R,3E,6S,7R,10Z,12R,13R,14E,17S)-7-[(2S,3S)-2-メチル-3-ヒドロキシブチル]-1,2,13-トリヒドロキシ-2,6,11,12-テトラメチル-19-メチレン-8,21-ジオキサビシクロ[15.3.1]ヘニコサン-3,10,14-トリエン-9-オン
  • (1S,2R,3E,6S,7R,10Z,12R,13R,14E,17S)-1,2,13-トリヒドロキシ-7-[(2S,3S)-3-ヒドロキシ-2-メチルブチル]-2,6,11,12-テトラメチル-19-メチリデン-8,21-ジオキサビシクロ[15.3.1]ヘンイコサ-3,10,14-トリエン-9-オン
  • (1S,2R,3E,6S,7R,10Z,12R,13R,14E,17S)-1,2,13-trihydroxy-7-[(2S,3S)-3-hydroxy-2-methylbutyl]-2,6,11,12-tetramethyl-19-methylidene-8,21-dioxabicyclo[15.3.1]henicosa-3,10,14-trien-9-one
Other name (3)：
  • (1S,2R,3E,6S,7R,10Z,12R,13R,14E,17S)-7-[(2S,3S)-2-Methyl-3-hydroxybutyl]-1,2,13-trihydroxy-2,6,11,12-tetramethyl-19-methylene-8,21-dioxabicyclo[15.3.1]henicosane-3,10,14-triene-9-one
  • Iriomoteolide 1a
  • イリオモテオリド1a
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