Chem
J-GLOBAL ID:200907079772369889   Nikkaji number:J682.563J

5-[[(2E,3aS,4R,5R,6aS)-Octahydro-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyl-1-octene-6-ynyl]pentalene]-2-ylidene]pentanoic acid

5-[[(2E,3aS,4R,5R,6aS)-オクタヒドロ-5-ヒドロキシ-4-[(1E,3S,4R)-3-ヒドロキシ-4-メチル-1-オクテン-6-イニル]ペンタレン]-2-イリデン]ペンタン酸
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: C22H32O4
Molecular formula furigana: C22-H32-O4
Molecular weight: 360.494
InChI: InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17+,18-,19+,20-,21-/m1/s1
InChI key: HIFJCPQKFCZDDL-GBSCXWAGSA-N
SMILES: CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)O)/C[C@H]12
Systematic name  (3):
  • 5-[[(2E,3aS,4R,5R,6aS)-オクタヒドロ-5-ヒドロキシ-4-[(1E,3S,4R)-3-ヒドロキシ-4-メチル-1-オクテン-6-イニル]ペンタレン]-2-イリデン]ペンタン酸
  • 5-[(2E,3aS,4R,5R,6aS)-5-ヒドロキシ-4-[(1E,3S,4R)-3-ヒドロキシ-4-メチルオクタ-1-エン-6-イン-1-イル]-オクタヒドロペンタレン-2-イリデン]ペンタン酸
  • 5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
Other name (1):
  • 5-[[(2E,3aS,4R,5R,6aS)-Octahydro-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyl-1-octene-6-ynyl]pentalene]-2-ylidene]pentanoic acid
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