Chem
J-GLOBAL ID：200907088238314253   Nikkaji number：J499.115J

(1R,3S,4Z,6R,7R,8R,10S)-1,10-Epoxy-8-[(2,3-dimethyloxiranylcarbonyl)oxy]-3-acetoxy-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-アセトキシ-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： C22H28O8
Molecular formula furigana： C22-H28-O8
Molecular weight： 420.458
InChI： InChI=1S/C22H28O8/c1-10-7-15-18(11(2)19(24)27-15)16(28-20(25)22(6)12(3)29-22)9-21(5)17(30-21)8-14(10)26-13(4)23/h7,12,14-18H,2,8-9H2,1,3-6H3/b10-7-/t12?,14?,15-,16?,17-,18+,21+,22?/m1/s1
InChI key： KRXYZCKNMRDIQF-XCOUAATPSA-N
SMILES： CC1OC1(C)C(=O)OC1C[C@]2(C)O[C@@H]2CC(OC(=O)C)/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)/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-アセトキシ-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
  • (1R,2R,4S,6R,8S,9Z,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 2,3-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)-8-(acetyloxy)-4,9-dimethyl-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-acetoxy-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone
Thsaurus map：
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