Chem
J-GLOBAL ID：201207037268827290   Nikkaji number：J3.050.896C

[2-[(2E,3aS,4S,5R,6aS)-3,3a,4,5,6,6a-Hexahydro-5-hydroxy-4-[(3S,4R)-3-hydroxy-4-methyl-1,6-nonadiynyl]pentalene-2(1H)-ylidene]ethoxy]acetic acid

2-{2-[(2E,3aS,4S,5R,6aS)-5-ヒドロキシ-4-[(3S,4R)-3-ヒドロキシ-4-メチルノナ-1,6-ジイン-1-イル]-オクタヒドロペンタレン-2-イリデン]エトキシ}酢酸
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： C22H30O5
Molecular formula furigana： C22-H30-O5
Molecular weight： 374.477
InChI： InChI=1S/C22H30O5/c1-3-4-5-6-15(2)20(23)8-7-18-19-12-16(9-10-27-14-22(25)26)11-17(19)13-21(18)24/h9,15,17-21,23-24H,3,6,10-14H2,1-2H3,(H,25,26)/b16-9+/t15-,17+,18-,19+,20-,21-/m1/s1
InChI key： ARUGKOZUKWAXDS-PVQFIELRSA-N
SMILES： CCC#CC[C@@H](C)[C@H](O)C#C[C@H]1[C@H](O)C[C@@H]2C/C(=C\COCC(=O)O)/C[C@H]12
Systematic name  (3)：
  • [2-[(2E,3aS,4S,5R,6aS)-3,3a,4,5,6,6a-ヘキサヒドロ-5-ヒドロキシ-4-[(3S,4R)-3-ヒドロキシ-4-メチル-1,6-ノナジイニル]ペンタレン-2(1H)-イリデン]エトキシ]酢酸
  • 2-{2-[(2E,3aS,4S,5R,6aS)-5-ヒドロキシ-4-[(3S,4R)-3-ヒドロキシ-4-メチルノナ-1,6-ジイン-1-イル]-オクタヒドロペンタレン-2-イリデン]エトキシ}酢酸
  • 2-{2-[(2E,3aS,4S,5R,6aS)-5-hydroxy-4-[(3S,4R)-3-hydroxy-4-methylnona-1,6-diyn-1-yl]-octahydropentalen-2-ylidene]ethoxy}acetic acid
Other name (1)：
  • [2-[(2E,3aS,4S,5R,6aS)-3,3a,4,5,6,6a-Hexahydro-5-hydroxy-4-[(3S,4R)-3-hydroxy-4-methyl-1,6-nonadiynyl]pentalene-2(1H)-ylidene]ethoxy]acetic acid
CAS registry number： 95722-07-9
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