Chem
J-GLOBAL ID：200907087387709418   Nikkaji number：J424.083I

Naphterpin

ナフテルピン
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： C21H22O5
Molecular formula furigana： C21-H22-O5
Molecular weight： 354.402
InChI： InChI=1S/C21H22O5/c1-9-5-6-13-11(7-9)16-18(24)12-8-14(22)10(2)17(23)15(12)19(25)20(16)26-21(13,3)4/h7-8,11,13,22-23H,5-6H2,1-4H3/t11-,13+/m1/s1
InChI key： GTEXXGIEZVKSLH-YPMHNXCESA-N
SMILES： CC1=C[C@@H]2[C@H](CC1)C(C)(C)OC1=C2C(=O)c2cc(O)c(C)c(O)c2C1=O
Systematic name  (3)：
  • (4aS)-4,4aβ,5,12bβ-テトラヒドロ-8,10-ジヒドロキシ-2,5,5,9-テトラメチル-3H-ベンゾ[d]ナフト[2,3-b]ピラン-7,12-ジオン
  • (4aS,12bR)-8,10-ジヒドロキシ-2,5,5,9-テトラメチル-4,4a,5,7,12,12b-ヘキサヒドロ-3H-6-オキサテトラフェン-7,12-ジオン
  • (4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-4,4a,5,7,12,12b-hexahydro-3H-6-oxatetraphene-7,12-dione
Other name (3)：
  • ナフテルピン
  • Naphterpin
  • (4aS)-4,4aβ,5,12bβ-Tetrahydro-8,10-dihydroxy-2,5,5,9-tetramethyl-3H-benzo[d]naphtho[2,3-b]pyran-7,12-dione
CAS registry number： 128505-88-4
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