Chem
J-GLOBAL ID：200907072459017209   Nikkaji number：J466.967C

(1S,2S,3aR,8bR)-2,3,3a,8b-Tetrahydro-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-1H-cyclopenta[b]benzofuran-5-butanoic acid sodium salt

(1S,2S,3aR,8bR)-2,3,3a,8b-テトラヒドロ-2-ヒドロキシ-1-[(E,3R)-3-ヒドロキシ-4-メチル-1-オクテン-6-イン-1-イル]-1H-シクロペンタ[b]ベンゾフラン-5-ブタン酸ナトリウム
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： C24H29NaO5
Molecular formula furigana： C24-H29-NA-O5
Molecular weight： 420.481
InChI： InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;/t15?,17-,19+,20+,21-,23-;/m1./s1
InChI key： YTCZZXIRLARSET-WGMXHSAISA-M
SMILES： CC#CCC(C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@H]2Oc3c(cccc3CCCC(=O)O[Na])[C@@H]12
Systematic name  (3)：
  • (1S,2S,3aR,8bR)-2,3,3a,8b-テトラヒドロ-2-ヒドロキシ-1-[(E,3R)-3-ヒドロキシ-4-メチル-1-オクテン-6-イン-1-イル]-1H-シクロペンタ[b]ベンゾフラン-5-ブタン酸ナトリウム
  • ナトリウム 4-[(2R,3S,4S,6R)-4-ヒドロキシ-3-[(1E,3R)-3-ヒドロキシ-4-メチルオクタ-1-エン-6-イン-1-イル]-7-オキサトリシクロ[6.4.0.02,6]ドデカ-1(8),9,11-トリエン-9-イル]ブタノアート
  • sodium 4-[(2R,3S,4S,6R)-4-hydroxy-3-[(1E,3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.02,6]dodeca-1(8),9,11-trien-9-yl]butanoate
Other name (1)：
  • (1S,2S,3aR,8bR)-2,3,3a,8b-Tetrahydro-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-1H-cyclopenta[b]benzofuran-5-butanoic acid sodium salt
Thsaurus map：
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