Chem
J-GLOBAL ID：202507019599947199   Nikkaji number：J3.811.196E

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+/m1/s1
InChI key： LZLQZSMXUGFMJF-LOZMEOSXSA-N
SMILES： [C@@H]1([C@@H](C[C@H]([C@H](C)O)C)OC(=O)/C=C(/[C@H]([C@H](/C=C/C[C@H]2CC(=C)C[C@@]([C@](/C=C/C1)(C)O)(O2)O)O)C)\C)C
Systematic name  (2)：
  • (1S,2R,3E,6R,7R,10E,12R,13S,14E,17S)-1,2,13-トリヒドロキシ-7-[(2R,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,6R,7R,10E,12R,13S,14E,17S)-1,2,13-trihydroxy-7-[(2R,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 (2)：
  • イリオモテオリド1a
  • Iriomoteolide 1a
Application (1)：
antitumor action
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