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Substance Name: 19-Iodocholesteryl oleate
RN: 74728-04-4
InChIKey: IVGLJLLTGGIZTK-KEAFGKSPSA-N

Molecular Weight

  • 777.001
 
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Names and Synonyms

Name of Substance

  • 19-Iodocholesteryl oleate

Systematic Name

  • Cholest-5-en-3-ol, 19-iodo-, 9-octadecenoate, (3beta(Z))-

Registry Numbers

CAS Registry Number

  • 74728-04-4

System Generated Number

  • 0074728044

Structure Descriptors

InChI

1S/C45H77IO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-43(47)48-38-29-32-45(34-46)37(33-38)25-26-39-41-28-27-40(36(4)23-21-22-35(2)3)44(41,5)31-30-42(39)45/h13-14,25,35-36,38-42H,6-12,15-24,26-34H2,1-5H3/b14-13+/t36-,38+,39+,40-,41+,42+,44-,45-/m1/s1

InChIKey

IVGLJLLTGGIZTK-KEAFGKSPSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)CI)OC(CCCCCCC\C=C\CCCCCCCC)=O