Chem
J-GLOBAL ID：200907080093987512
Nikkaji number：J931.165C
APS-315d
(1R,2R,3aS,8bS)-2,3,3a,8b-テトラヒドロ-2-ヒドロキシ-1-[(E,3R,4R)-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 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
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
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-ZMCYIAKPSA-M
SMILES：
CC#CC[C@@H](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)：
- (1R,2R,3aS,8bS)-2,3,3a,8b-テトラヒドロ-2-ヒドロキシ-1-[(E,3R,4R)-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-[(2S,3R,4R,6S)-4-ヒドロキシ-3-[(1E,3R,4R)-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-[(2S,3R,4R,6S)-4-hydroxy-3-[(1E,3R,4R)-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
- APS-315d
- (1R,2R,3aS,8bS)-2,3,3a,8b-Tetrahydro-2-hydroxy-1-[(E,3R,4R)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-1H-cyclopenta[b]benzofuran-5-butanoic acid sodium salt
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