Chem
J-GLOBAL ID：200907029766078948   Nikkaji number：J2.022.027I

(6S,8R)-2-Phenyl-6,8-dihydroxy-10-[[(1R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-indene-4-ylidene]methyl]-5,6,7,8,9,10-hexahydro-1H-[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione

(6S,8R)-2-フェニル-6,8-ジヒドロキシ-10-[[(1R,7aR)-1-[(1R)-1,5-ジメチルヘキシル]-7a-メチルオクタヒドロ-1H-インデン-4-イリデン]メチル]-5,6,7,8,9,10-ヘキサヒドロ-1H-[1,2,4]トリアゾロ[1,2-b]フタラジン-1,3(2H)-ジオン
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： C35H49N3O4
Molecular formula furigana： C35-H49-N3-O4
Molecular weight： 575.794
InChI： InChI=1S/C35H49N3O4/c1-22(2)10-8-11-23(3)29-15-16-30-24(12-9-17-35(29,30)4)18-31-27-19-26(39)20-32(40)28(27)21-36-33(41)37(34(42)38(31)36)25-13-6-5-7-14-25/h5-7,13-14,18,22-23,26,29-32,39-40H,8-12,15-17,19-21H2,1-4H3/t23-,26-,29-,30?,31?,32+,35-/m1/s1
InChI key： ZIZXZJVBEBDGST-NVWHABGPSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CCC2C(=CC3C4=C(Cn5n3c(=O)n(c3ccccc3)c5=O)[C@@H](O)C[C@H](O)C4)CCC[C@]12C
Systematic name  (3)：
  • (6S,8R)-2-フェニル-6,8-ジヒドロキシ-10-[[(1R,7aR)-1-[(1R)-1,5-ジメチルヘキシル]-7a-メチルオクタヒドロ-1H-インデン-4-イリデン]メチル]-5,6,7,8,9,10-ヘキサヒドロ-1H-[1,2,4]トリアゾロ[1,2-b]フタラジン-1,3(2H)-ジオン
  • (7R,9S)-5-{[(1R,7aR)-7a-メチル-1-[(2R)-6-メチルヘプタン-2-イル]-オクタヒドロ-1H-インデン-4-イリデン]メチル}-7,9-ジヒドロキシ-2-フェニル-1H,2H,3H,5H,6H,7H,8H,9H,10H-[1,2,4]トリアゾロ[1,2-b]フタラジン-1,3-ジオン
  • (7R,9S)-5-{[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]methyl}-7,9-dihydroxy-2-phenyl-1H,2H,3H,5H,6H,7H,8H,9H,10H-[1,2,4]triazolo[1,2-b]phthalazine-1,3-dione
Other name (1)：
  • (6S,8R)-2-Phenyl-6,8-dihydroxy-10-[[(1R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-indene-4-ylidene]methyl]-5,6,7,8,9,10-hexahydro-1H-[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione
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