Chem
J-GLOBAL ID：201907003383218906   Nikkaji number：J3.741.097G

9,11,12-epi-Iriomoteolide 2a

9,11,12-epi-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/b9-8+,20-17+/t21-,22+,24-,25?,26-,27-,28+,29-,30-,31-,32+/m1/s1
InChI key： PALIJUYPRSCNEH-VBFRNJROSA-N
SMILES： [C@@H]12O[C@@H](CC/C=C/CC[C@H](C(=O)O[C@@H](CCC/C(=C/[C@@H]3[C@H](C[C@H]1O3)C)/C)[C@@H]([C@@H](C(=C)[C@@H](CC)O)C)O)C)C[C@H]2O
Systematic name  (3)：
  • (1S,2R,4S,5S,6E,11S,14R,17E,21S,23R)-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
  • (1S,2R,4S,5S,6E,11S,14R,17E,21S,23R)-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
  • (1S,2R,4S,5S,6E,11S,14R,17E,21S,23R)-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 (2)：
  • 9,11,12-epi-イリオモテオリド2a
  • 9,11,12-epi-Iriomoteolide 2a
Thsaurus map：
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