Chem
J-GLOBAL ID：201407046630758696   Nikkaji number：J3.228.663A

(+)-Clavilactone A

(+)-クラビラクトンA
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： C16H16O5
Molecular formula furigana： C16-H16-O5
Molecular weight： 288.299
InChI： InChI=1S/C16H16O5/c1-8-3-2-6-16-14(21-16)13(20-15(16)19)12-9(7-8)10(17)4-5-11(12)18/h3-5,13-14,17-18H,2,6-7H2,1H3/b8-3-/t13-,14-,16-/m1/s1
InChI key： GSDGOPHOEWBIPI-VSSAEWCTSA-N
SMILES： C/C/1=C/CC[C@@]23O[C@@H]2[C@H](OC3=O)c2c(O)ccc(O)c2C1
Systematic name  (3)：
  • (5R,10Z)-1,4,5β-トリヒドロキシ-11-メチル-6β,7-エポキシ-5,6,7,8,9,12-ヘキサヒドロベンゾシクロデセン-7β-カルボン酸γ-ラクトン
  • (1R,4Z,13R,14R)-8,11-ジヒドロキシ-5-メチル-15,17-ジオキサテトラシクロ[11.2.2.01,14.07,12]ヘプタデカ-4,7,9,11-テトラエン-16-オン
  • (1R,4Z,13R,14R)-8,11-dihydroxy-5-methyl-15,17-dioxatetracyclo[11.2.2.01,14.07,12]heptadeca-4,7,9,11-tetraen-16-one
Other name (3)：
  • (5R,10Z)-1,4,5β-Trihydroxy-11-methyl-6β,7-epoxy-5,6,7,8,9,12-hexahydrobenzocyclodecene-7β-carboxylic acid γ-lactone
  • (+)-クラビラクトンA
  • (+)-Clavilactone A
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