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Substance Name: Estradiol-17-arachidonate
RN: 82204-96-4
InChIKey: IZRJSEABAODKDO-QUQSKHMMSA-N

Molecular Formula

  • C38-H54-O3

Molecular Weight

  • 558.8416
 
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Names and Synonyms

Name of Substance

  • Estradiol-17-arachidonate

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(5,8,11,14-eicosatetraenoate), (17(all-Z))-

Registry Numbers

CAS Registry Number

  • 82204-96-4

System Generated Number

  • 0082204964

Structure Descriptors

InChI

1S/C38H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(40)41-36-26-25-35-34-23-21-30-29-31(39)22-24-32(30)33(34)27-28-38(35,36)2/h7-8,10-11,13-14,16-17,22,24,29,33-36,39H,3-6,9,12,15,18-21,23,25-28H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t33-,34-,35+,36+,38+/m1/s1

InChIKey

IZRJSEABAODKDO-QUQSKHMMSA-N

Smiles

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C