Chem
J-GLOBAL ID：200907090342096335   Nikkaji number：J1.886.561K

Ailantinol E

アイランチノールE
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： C21H24O7
Molecular formula furigana： C21-H24-O7
Molecular weight： 388.416
InChI： InChI=1S/C21H24O7/c1-9-5-11(22)20(25)17(3)14-15(24)21(20,26)16(2)10-6-13(23)28-12(7-19(9,16)17)18(10,14)8-27-4/h5,10,12,14,25-26H,6-8H2,1-4H3/t10-,12+,14-,16-,17+,18+,19-,20+,21+/m0/s1
InChI key： RSBGJWBXFGBAHB-ORNHATPOSA-N
SMILES： COC[C@@]12[C@H]3C(=O)[C@@]4(O)[C@@]5(C)[C@@H]1CC(=O)O[C@@H]2C[C@@]15C(=CC(=O)[C@@]4(O)[C@]31C)C
Systematic name  (3)：
  • (9β,13S)-1,12-ジヒドロキシ-20-メトキシ-1α,12α:5,13-ジシクロピクラサ-3-エン-2,11,16-トリオン
  • (1R,2R,3R,7S,9R,13R,14S,15R,17S)-3,15-ジヒドロキシ-17-(メトキシメチル)-2,6,14-トリメチル-10-オキサヘキサシクロ[7.7.1.02,7.03,15.07,14.013,17]ヘプタデカ-5-エン-4,11,16-トリオン
  • (1R,2R,3R,7S,9R,13R,14S,15R,17S)-3,15-dihydroxy-17-(methoxymethyl)-2,6,14-trimethyl-10-oxahexacyclo[7.7.1.02,7.03,15.07,14.013,17]heptadec-5-ene-4,11,16-trione
Other name (3)：
  • (9β,13S)-1,12-Dihydroxy-20-methoxy-1α,12α:5,13-dicyclopicrasa-3-ene-2,11,16-trione
  • アイランチノールE
  • Ailantinol E
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM