Chem
J-GLOBAL ID:200907016396116654   Nikkaji number:J2.414.292B

(1R,5S,6R,7S)-5-[(R)-1-Hydroxy-2-methylpropyl]-1,3,7-tris(3-methyl-2-butenyl)-6-methyl-6-(4-methyl-3-pentenyl)bicyclo[3.3.1]nona-2-ene-4,9-dione

(1R,5S,6R,7S)-5-[(R)-1-ヒドロキシ-2-メチルプロピル]-1,3,7-トリス(3-メチル-2-ブテニル)-6-メチル-6-(4-メチル-3-ペンテニル)ビシクロ[3.3.1]ノナ-2-エン-4,9-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: C35H54O3
Molecular formula furigana: C35-H54-O3
Molecular weight: 522.813
InChI: InChI=1S/C35H54O3/c1-23(2)13-12-19-33(11)29(17-15-25(5)6)22-34(20-18-26(7)8)21-28(16-14-24(3)4)31(37)35(33,32(34)38)30(36)27(9)10/h13-15,18,21,27,29-30,36H,12,16-17,19-20,22H2,1-11H3/t29-,30+,33+,34-,35+/m0/s1
InChI key: CGGIYNHGEGODKE-ZGCWTVNUSA-N
SMILES: CC(C)[C@@H](O)[C@]12C(=O)C(=C[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)CC=C(C)C
Systematic name  (3):
  • (1R,5S,6R,7S)-5-[(R)-1-ヒドロキシ-2-メチルプロピル]-1,3,7-トリス(3-メチル-2-ブテニル)-6-メチル-6-(4-メチル-3-ペンテニル)ビシクロ[3.3.1]ノナ-2-エン-4,9-ジオン
  • (1S,5R,7S,8R)-1-[(1R)-1-ヒドロキシ-2-メチルプロピル]-8-メチル-3,5,7-トリス(3-メチルブタ-2-エン-1-イル)-8-(4-メチルペンタ-3-エン-1-イル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1S,5R,7S,8R)-1-[(1R)-1-hydroxy-2-methylpropyl]-8-methyl-3,5,7-tris(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
Other name (1):
  • (1R,5S,6R,7S)-5-[(R)-1-Hydroxy-2-methylpropyl]-1,3,7-tris(3-methyl-2-butenyl)-6-methyl-6-(4-methyl-3-pentenyl)bicyclo[3.3.1]nona-2-ene-4,9-dione
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