Chem
J-GLOBAL ID:200907004787114860
Nikkaji number:J1.880.696G
Ailantinol G
アイランチノールG
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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:
C24 H32 O10
Molecular formula furigana:
C24-H32-O10
Molecular weight:
480.510
InChI:
InChI=1S/C24H32O10/c1-6-22(5,29)20(28)34-15-14-11(3)16(26)24(30)19-21(4,17-10(2)7-13(25)33-17)8-12(32-18(15)27)23(14,19)9-31-24/h7,11-12,14-17,19,26,29-30H,6,8-9H2,1-5H3/t11-,12-,14-,15-,16-,17+,19-,21-,22+,23+,24+/m1/s1
InChI key:
OTNSHYRETRNONW-KIBZZZOKSA-N
SMILES:
CC[C@](C)(O)C(=O)O[C@@H]1[C@H]2[C@@H](C)[C@@H](O)[C@]3(O)OC[C@@]42[C@@H](C[C@](C)([C@H]2OC(=O)C=C2C)[C@@H]34)OC1=O
Systematic name (3):
(10S)-11,12α-ジヒドロキシ-15β-[[(S)-2-ヒドロキシ-2-メチルブチリル]オキシ]-2,5:11β,20-ジエポキシ-1-ノル-6,10-シクロ-2,10:5,6-ジセコピクラサ-3-エン-2,16-ジオン
(1S,2R,3S,5R,8R,9S,10R,11R,12R)-11,12-ジヒドロキシ-3,10-ジメチル-3-[(2S)-3-メチル-5-オキソ-2,5-ジヒドロフラン-2-イル]-7-オキソ-6,13-ジオキサテトラシクロ[7.5.0.01,5 .02,12 ]テトラデカン-8-イル (2S)-2-ヒドロキシ-2-メチルブタノアート
(1S,2R,3S,5R,8R,9S,10R,11R,12R)-11,12-dihydroxy-3,10-dimethyl-3-[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]-7-oxo-6,13-dioxatetracyclo[7.5.0.01,5 .02,12 ]tetradecan-8-yl (2S)-2-hydroxy-2-methylbutanoate
Other name (3):
(10S)-11,12α-Dihydroxy-15β-[[(S)-2-hydroxy-2-methylbutyryl]oxy]-2,5:11β,20-diepoxy-1-nor-6,10-cyclo-2,10:5,6-disecopicrasa-3-ene-2,16-dione
アイランチノールG
Ailantinol G
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