Chem
J-GLOBAL ID：200907038156816458   Nikkaji number：J493.583G

(1R,3S,4E,6R,7R,8R,10S)-3-Acetoxy-1,10-epoxy-8-(isobutyryloxy)-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone

(1R,3S,4E,6R,7R,8R,10S)-3-アセトキシ-1,10-エポキシ-8-(イソブチリルオキシ)-6-ヒドロキシゲルマクラ-4,11(13)-ジエン-12-酸12,6-ラクトン
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： C21H28O7
Molecular formula furigana： C21-H28-O7
Molecular weight： 392.448
InChI： InChI=1S/C21H28O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,10,14-18H,4,8-9H2,1-3,5-6H3/b11-7+/t14-,15+,16+,17+,18-,21-/m0/s1
InChI key： VDPIGPWXCXCBKE-UBHNNJJHSA-N
SMILES： CC(C)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C[C@H](OC(=O)C)/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)/C
Systematic name  (3)：
  • (1R,3S,4E,6R,7R,8R,10S)-3-アセトキシ-1,10-エポキシ-8-(イソブチリルオキシ)-6-ヒドロキシゲルマクラ-4,11(13)-ジエン-12-酸12,6-ラクトン
  • (1R,2R,4S,6R,8S,9E,11R)-8-(アセチルオキシ)-4,9-ジメチル-14-メチリデン-13-オキソ-5,12-ジオキサトリシクロ[9.3.0.04,6]テトラデカ-9-エン-2-イル 2-メチルプロパノアート
  • (1R,2R,4S,6R,8S,9E,11R)-8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl 2-methylpropanoate
Other name (1)：
  • (1R,3S,4E,6R,7R,8R,10S)-3-Acetoxy-1,10-epoxy-8-(isobutyryloxy)-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone
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