Chem
J-GLOBAL ID：200907069687037545   Nikkaji number：J493.585C

(3S,4Z,6R,7R,8R,10S)-3,10-Epoxy-8-[(isobutyryl)oxy]-3-methoxy-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone

(3S,4Z,6R,7R,8R,10S)-3,10-エポキシ-8-[(イソブチリル)オキシ]-3-メトキシ-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： C20H28O6
Molecular formula furigana： C20-H28-O6
Molecular weight： 364.438
InChI： InChI=1S/C20H28O6/c1-11(2)17(21)25-15-10-19(5)7-8-20(23-6,26-19)12(3)9-14-16(15)13(4)18(22)24-14/h9,11,14-16H,4,7-8,10H2,1-3,5-6H3/b12-9-/t14-,15-,16+,19+,20+/m1/s1
InChI key： YLBBXQPTKOZXMA-JJMSYMMSSA-N
SMILES： CO[C@]12CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]3[C@H](OC(=O)C3=C)/C=C\1/C)O2
Systematic name  (3)：
  • (3S,4Z,6R,7R,8R,10S)-3,10-エポキシ-8-[(イソブチリル)オキシ]-3-メトキシ-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
  • (1S,2Z,4R,8R,9R,11S)-1-メトキシ-2,11-ジメチル-7-メチリデン-6-オキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカ-2-エン-9-イル 2-メチルプロパノアート
  • (1S,2Z,4R,8R,9R,11S)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl 2-methylpropanoate
Other name (1)：
  • (3S,4Z,6R,7R,8R,10S)-3,10-Epoxy-8-[(isobutyryl)oxy]-3-methoxy-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone
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