Chem
J-GLOBAL ID：200907089208257944   Nikkaji number：J2.022.026K

(6S,8R)-2-(4-Nitrophenyl)-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-(4-ニトロフェニル)-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： C35H48N3[N+]O5[O-]
Molecular formula furigana： C35-H48-N4-O6
Molecular weight： 620.791
InChI： InChI=1S/C35H48N4O6/c1-21(2)7-5-8-22(3)29-14-15-30-23(9-6-16-35(29,30)4)17-31-27-18-26(40)19-32(41)28(27)20-36-33(42)37(34(43)38(31)36)24-10-12-25(13-11-24)39(44)45/h10-13,17,21-22,26,29-32,40-41H,5-9,14-16,18-20H2,1-4H3/t22-,26-,29-,30?,31?,32+,35-/m1/s1
InChI key： XFGUCYNRKHXZBN-FSNUXMDGSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CCC2C(=CC3C4=C(Cn5n3c(=O)n(c3ccc(cc3)[N+](=O)[O-])c5=O)[C@@H](O)C[C@H](O)C4)CCC[C@]12C
Systematic name  (3)：
  • (6S,8R)-2-(4-ニトロフェニル)-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-(4-ニトロフェニル)-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-(4-nitrophenyl)-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-(4-Nitrophenyl)-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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