Chem
J-GLOBAL ID:200907024339690665
Nikkaji number:J492.814H
(3S,4S,6R,7R,8R,10S)-3,10-Epoxy-8-[(isobutyryl)oxy]-3,6-dihydroxygermacr-11(13)-en-12-oic acid 12,6-lactone
(3S,4S,6R,7R,8R,10S)-3,10-エポキシ-8-[(イソブチリル)オキシ]-3,6-ジヒドロキシゲルマクラ-11(13)-エン-12-酸12,6-ラクトン
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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:
C19 H28 O6
Molecular formula furigana:
C19-H28-O6
Molecular weight:
352.427
InChI:
InChI=1S/C19H28O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h10-11,13-15,22H,4,6-9H2,1-3,5H3/t11-,13+,14+,15+,18-,19-/m0/s1
InChI key:
VKWNXJLVNFOOOS-OUSBKYOLSA-N
SMILES:
CC(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@@H]12
Systematic name (3):
(3S,4S,6R,7R,8R,10S)-3,10-エポキシ-8-[(イソブチリル)オキシ]-3,6-ジヒドロキシゲルマクラ-11(13)-エン-12-酸12,6-ラクトン
(1S,2S,4R,8R,9R,11S)-1-ヒドロキシ-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 ]テトラデカン-9-イル 2-メチルプロパノアート
(1S,2S,4R,8R,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8 ]tetradecan-9-yl 2-methylpropanoate
Other name (1):
(3S,4S,6R,7R,8R,10S)-3,10-Epoxy-8-[(isobutyryl)oxy]-3,6-dihydroxygermacr-11(13)-en-12-oic acid 12,6-lactone
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