Chem
J-GLOBAL ID：201507074349839610   Nikkaji number：J3.381.863G

Garciesculenton A

ガルシエスクレントン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： C38H50O7
Molecular formula furigana： C38-H50-O7
Molecular weight： 618.811
InChI： InChI=1S/C38H50O7/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)45-32(37)30(44-33(42)25-13-16-28(39)29(40)19-25)31(41)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37?,38?/m0/s1
InChI key： RDDLFZCCGRCSQD-JQTYZZHMSA-N
SMILES： CC(=CC[C@@H]1CC23C[C@H](CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(=C2OC1(C)C)OC(=O)c1ccc(O)c(O)c1)C3=O)C
Systematic name  (3)：
  • 2,2,9,9-テトラメチル-3α,6,10β-トリイソペンテニル-8-(3,4-ジヒドロキシベンゾイルオキシ)-4a,6-プロパノ-3,4-ジヒドロ-2H-1-ベンゾピラン-5(4aH),7(6H)-ジオン
  • (3R,11S)-4,4,10,10-テトラメチル-3,9,11-トリス(3-メチルブタ-2-エン-1-イル)-8,13-ジオキソ-5-オキサトリシクロ[7.3.1.01,6]トリデカ-6-エン-7-イル 3,4-ジヒドロキシベンゾアート
  • (3R,11S)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-8,13-dioxo-5-oxatricyclo[7.3.1.01,6]tridec-6-en-7-yl 3,4-dihydroxybenzoate
Other name (3)：
  • 2,2,9,9-Tetramethyl-3α,6,10β-triisopentenyl-8-(3,4-dihydroxybenzoyloxy)-4a,6-propano-3,4-dihydro-2H-1-benzopyran-5(4aH),7(6H)-dione
  • ガルシエスクレントンA
  • Garciesculenton A
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