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Substance Name: 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-
RN: 40666-30-6
InChIKey: LIGBAVVJCKIGHX-USKRPNENSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C22-H29-Cl-O5-S

Molecular Weight

  • 440.985
 
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Names and Synonyms

  • 5-Heptenoic acid, 7-(2-(4-((4-chlorophenyl)thio)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1-alpha(Z),2-beta(1E,3S*),3-alpha,5-alpha)-, (+-)-

Registry Numbers

CAS Registry Number

  • 40666-30-6

System Generated Number

  • 0040666306

Structure Descriptors

InChI

1S/C22H29ClO5S/c23-15-7-10-17(11-8-15)29-14-16(24)9-12-19-18(20(25)13-21(19)26)5-3-1-2-4-6-22(27)28/h1,3,7-12,16,18-21,24-26H,2,4-6,13-14H2,(H,27,28)/b3-1-,12-9+/t16-,18?,19-,20?,21?/m1/s1

InChIKey

LIGBAVVJCKIGHX-USKRPNENSA-N

Smiles

C([C@@H]1[C@H]([C@@H](O)C[C@@H]1O)\C=C\[C@H](CSc1ccc(Cl)cc1)O)\C=C/CCCC(O)=O