Chem
J-GLOBAL ID：200907060685227153   Nikkaji number：J499.117F

(1R,3S,4Z,6R,7R,8R,10S)-1,10-Epoxy-8-[(2,3-dimethyloxiranylcarbonyl)oxy]-3-[(isovaleryl)oxy]-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone

(1R,3S,4Z,6R,7R,8R,10S)-1,10-エポキシ-8-[(2,3-ジメチルオキシラニルカルボニル)オキシ]-3-[(イソバレリル)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： C25H34O8
Molecular formula furigana： C25-H34-O8
Molecular weight： 462.539
InChI： InChI=1S/C25H34O8/c1-12(2)8-20(26)29-16-10-19-24(6,33-19)11-18(31-23(28)25(7)15(5)32-25)21-14(4)22(27)30-17(21)9-13(16)3/h9,12,15-19,21H,4,8,10-11H2,1-3,5-7H3/b13-9-/t15?,16?,17-,18?,19-,21+,24+,25?/m1/s1
InChI key： KFVVNJPQXWUOJW-XBGFEHIASA-N
SMILES： CC(C)CC(=O)OC1C[C@H]2O[C@@]2(C)CC(OC(=O)C2(C)OC2C)[C@@H]2[C@H](OC(=O)C2=C)/C=C\1/C
Systematic name  (3)：
  • (1R,3S,4Z,6R,7R,8R,10S)-1,10-エポキシ-8-[(2,3-ジメチルオキシラニルカルボニル)オキシ]-3-[(イソバレリル)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,9Z,11R)-4,9-ジメチル-8-[(3-メチルブタノイル)オキシ]-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 2,3-ジメチルオキシラン-2-カルボキシラート
  • (1R,2R,4S,6R,8S,9Z,11R)-4,9-dimethyl-8-[(3-methylbutanoyl)oxy]-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl 2,3-dimethyloxirane-2-carboxylate
Other name (1)：
  • (1R,3S,4Z,6R,7R,8R,10S)-1,10-Epoxy-8-[(2,3-dimethyloxiranylcarbonyl)oxy]-3-[(isovaleryl)oxy]-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone
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