Chem
J-GLOBAL ID：200907015774604070   Nikkaji number：J735.358H

Pinnaic acid

ピンナン酸
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： C23H36ClNO4
Molecular formula furigana： C23-H36-CL-N-O4
Molecular weight： 425.990
InChI： InChI=1S/C23H36ClNO4/c1-16(8-10-20(27)15-18(24)11-14-26)21-6-4-13-23(21)12-3-5-19(25-23)9-7-17(2)22(28)29/h7-8,10,15-16,19-21,25-27H,3-6,9,11-14H2,1-2H3,(H,28,29)/b10-8+,17-7+,18-15-/t16-,19+,20+,21+,23+/m0/s1
InChI key： AASNHMKFRLWUOJ-IBSBDYNISA-N
SMILES： C[C@@H](/C=C/[C@@H](O)/C=C(\Cl)/CCO)[C@H]1CCC[C@@]21CCC[C@H](C/C=C(\C)/C(=O)O)N2
Systematic name  (4)：
  • (E)-2-メチル-4-[(1R,5S)-1β-[(1S,2E,4R,5Z)-1-メチル-4,8-ジヒドロキシ-6-クロロ-2,5-オクタジエニル]-6-アザスピロ[4.5]デカン-7β-イル]-2-ブテン酸
  • (2E)-2-メチル-4-[(1R,5S,7R)-1-[(1S,2E,4R,5Z)-1-メチル-4,8-ジヒドロキシ-6-クロロ-2,5-オクタジエニル]-6-アザスピロ[4.5]デカン-7-イル]-2-ブテン酸
  • (2E)-4-[(1R,5S,7R)-1-[(2S,3E,5R,6Z)-7-クロロ-5,9-ジヒドロキシノナ-3,6-ジエン-2-イル]-6-アザスピロ[4.5]デカン-7-イル]-2-メチルブタ-2-エン酸
  • (2E)-4-[(1R,5S,7R)-1-[(2S,3E,5R,6Z)-7-chloro-5,9-dihydroxynona-3,6-dien-2-yl]-6-azaspiro[4.5]decan-7-yl]-2-methylbut-2-enoic acid
Other name (5)：
  • ピンナン酸
  • Pinnaic acid
  • ピンナ酸
  • (2E)-2-Methyl-4-[(1R,5S,7R)-1-[(1S,2E,4R,5Z)-1-methyl-4,8-dihydroxy-6-chloro-2,5-octadienyl]-6-azaspiro[4.5]decane-7-yl]-2-butenoic acid
  • (E)-2-Methyl-4-[(1R,5S)-1β-[(1S,2E,4R,5Z)-1-methyl-4,8-dihydroxy-6-chloro-2,5-octadienyl]-6-azaspiro[4.5]decane-7β-yl]-2-butenoic acid
CAS registry number： 178115-91-8
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