Chem
J-GLOBAL ID：200907026872969887   Nikkaji number：J842.663E

(18R)-15-Oxo-18-[[(E)-2-methyl-2-butenoyl]oxy]-14,15-dihydro-2α,18-epoxy-3-deoxy-18-deacetoxycaryoptinol

(18R)-15-オキソ-18-[[(E)-2-メチル-2-ブテノイル]オキシ]-14,15-ジヒドロ-2α,18-エポキシ-3-デオキシ-18-デアセトキシカリオプチノール
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： C27H36O9
Molecular formula furigana： C27-H36-O9
Molecular weight： 504.576
InChI： InChI=1S/C27H36O9/c1-6-13(2)22(30)36-24-27-18(10-17(33-24)11-26(27)12-31-26)25(5,14(3)7-20(27)32-15(4)28)19-8-16-9-21(29)35-23(16)34-19/h6,14,16-20,23-24H,7-12H2,1-5H3/b13-6+/t14-,16+,17-,18-,19+,20+,23-,24-,25+,26+,27+/m1/s1
InChI key： OYIQQTFGBDHIFB-CYGZRERFSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1O[C@@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5CC(=O)O[C@H]5O4)[C@H](C)C[C@H](OC(=O)C)[C@]13[C@@]1(CO1)C2
Systematic name  (3)：
  • (18R)-15-オキソ-18-[[(E)-2-メチル-2-ブテノイル]オキシ]-14,15-ジヒドロ-2α,18-エポキシ-3-デオキシ-18-デアセトキシカリオプチノール
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R,11'R)-5'-[(2S,3aS,6aR)-5-オキソ-ヘキサヒドロフロ[2,3-b]フラン-2-イル]-2'-(アセチルオキシ)-4',5'-ジメチル-12'-オキサスピロ[オキシラン-2,10'-トリシクロ[6.2.2.01,6]ドデカン]-11'-イル (2E)-2-メチルブタ-2-エノアート
  • (1'R,2R,2'S,4'R,5'S,6'R,8'R,11'R)-5'-[(2S,3aS,6aR)-5-oxo-hexahydrofuro[2,3-b]furan-2-yl]-2'-(acetyloxy)-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.01,6]dodecan]-11'-yl (2E)-2-methylbut-2-enoate
Other name (1)：
  • (18R)-15-Oxo-18-[[(E)-2-methyl-2-butenoyl]oxy]-14,15-dihydro-2α,18-epoxy-3-deoxy-18-deacetoxycaryoptinol
Thsaurus map：
Thesaurus Map

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