Chem
J-GLOBAL ID：200907053923686084   Nikkaji number：J499.118D

(1R,3S,4Z,6R,7R,8R,10S)-1,10-Epoxy-8-[(Z)-2-methyl-2-butenoyloxy]-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-[(Z)-2-メチル-2-ブテノイルオキシ]-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： C22H28O7
Molecular formula furigana： C22-H28-O7
Molecular weight： 404.459
InChI： InChI=1S/C22H28O7/c1-7-11(2)20(24)28-17-10-22(6)18(29-22)9-15(26-14(5)23)12(3)8-16-19(17)13(4)21(25)27-16/h7-8,15-19H,4,9-10H2,1-3,5-6H3/b11-7-,12-8-/t15?,16-,17?,18-,19+,22+/m1/s1
InChI key： FKBYLKGHMBGEOZ-OEAAJLILSA-N
SMILES： C/C=C(/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-[(Z)-2-メチル-2-ブテノイルオキシ]-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 (2Z)-2-メチルブタ-2-エノアート
  • (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 (2Z)-2-methylbut-2-enoate
Other name (1)：
  • (1R,3S,4Z,6R,7R,8R,10S)-1,10-Epoxy-8-[(Z)-2-methyl-2-butenoyloxy]-3-acetoxy-6-hydroxygermacra-4,11(13)-dien-12-oic acid 12,6-lactone
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