Chem
J-GLOBAL ID:200907065097979965   Nikkaji number:J609.496A

S-1033

S-1033
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: C20H33NaO4
Molecular formula furigana: C20-H33-NA-O4
Molecular weight: 360.470
InChI: InChI=1S/C20H34O4.Na/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24;/h7,9-10,12,16-19,21-22H,2-6,8,11,13-15H2,1H3,(H,23,24);/q;+1/p-1/b10-7-,12-9+;/t16-,17-,18-,19+;/m1./s1
InChI key: WESGECMANBOOPN-CYMBGFKMSA-M
SMILES: CCCCCC/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O[Na]
Systematic name  (3):
  • (5Z,13E)-9α,11α-ジヒドロキシプロスタ-5,13-ジエン-1-酸ナトリウム
  • ナトリウム (5Z)-7-[(1R,2R,3R,5S)-3,5-ジヒドロキシ-2-[(1E)-オクタ-1-エン-1-イル]シクロペンチル]ヘプタ-5-エノアート
  • sodium (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-oct-1-en-1-yl]cyclopentyl]hept-5-enoate
Other name (3):
  • S-1033
  • (5Z,13E)-9α,11α-Dihydroxyprosta-5,13-dien-1-oic acid sodium salt
  • S 1033
CAS registry number: 138282-73-2
KEGG COMPOUND: C15450
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