Chem
J-GLOBAL ID：200907027698372538   Nikkaji number：J705.386J

Cycloxanthochymol

シクロキサントキモール
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： C38H50O6
Molecular formula furigana： C38-H50-O6
Molecular weight： 602.812
InChI： InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16,19,26-27,39-40H,5,14-15,17-18,20-21H2,1-4,6-10H3/t26-,27+,37+,38+/m0/s1
InChI key： TUEZVFZBJBGFAD-MWVHARJDSA-N
SMILES： CC(=C)CC[C@]12C(=O)C(=C3OC(C)(C)[C@H](CC=C(C)C)C[C@@]3(C[C@H](CC=C(C)C)C1(C)C)C2=O)C(=O)c1ccc(O)c(O)c1
Systematic name  (3)：
  • (3R)-10-(3,4-ジヒドロキシベンゾイル)-3,4,5,6,7,8-ヘキサヒドロ-2,2,7,7-テトラメチル-3α,6α-ビス(3-メチル-2-ブテニル)-8-(3-メチル-3-ブテニル)-9H-4aβ,8β-メタノ-2H-シクロオクタ[b]ピラン-9,11-ジオン
  • (1R,3R,9S,11S)-7-(3,4-ジヒドロキシベンゾイル)-4,4,10,10-テトラメチル-3,11-ビス(3-メチルブタ-2-エン-1-イル)-9-(3-メチルブタ-3-エン-1-イル)-5-オキサトリシクロ[7.3.1.01,6]トリデカ-6-エン-8,13-ジオン
  • (1R,3R,9S,11S)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,11-bis(3-methylbut-2-en-1-yl)-9-(3-methylbut-3-en-1-yl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
Other name (3)：
  • シクロキサントキモール
  • Cycloxanthochymol
  • (3R)-10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3α,6α-bis(3-methyl-2-butenyl)-8-(3-methyl-3-butenyl)-9H-4aβ,8β-methano-2H-cycloocta[b]pyran-9,11-dione
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