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Substance Name: ZK 71677
RN: 77698-96-5
InChIKey: RRQXRDGMMDFCRO-RZCYEVPXSA-N

Molecular Formula

  • C24-H32-O7.C4-H11-N-O3

Molecular Weight

  • 553.6447
 
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Names and Synonyms

Name of Substance

  • ZK 71677

Synonym

  • EINECS 278-752-6

Systematic Name

  • 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, (1R-(1alpha(Z),2beta(E),3alpha,5alpha))-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)

Registry Numbers

CAS Registry Number

  • 77698-96-5

System Generated Number

  • 0077698965

Molecular Formulas

Molecular Formula

  • C24-H32-O7.C4-H11-N-O3

Molecular Formula Fragments

  • C24-H32-O7
  • C4-H11-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32O7.C4H11NO3/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18;5-4(1-6,2-7)3-8/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28);6-8H,1-3,5H2/b6-1-,13-12+;/t19-,20-,21+,22-;/m1./s1

InChIKey

RRQXRDGMMDFCRO-RZCYEVPXSA-N

Smiles

c1ccc(cc1)OCC2(OCCO2)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O.C(C(CO)(CO)N)O