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Substance Name: 19-Iodocholesterol 3-acetate
RN: 4561-90-4
InChIKey: LVQSCLBKGHGMFF-KVHJHAPGSA-N

Molecular Weight

  • 554.588
 
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Names and Synonyms

Name of Substance

  • 19-Iodocholesterol 3-acetate

Systematic Name

  • 19-Iodocholest-5-en-3beta-ol acetate

Registry Numbers

CAS Registry Number

  • 4561-90-4

System Generated Number

  • 0004561904

Structure Descriptors

InChI

1S/C29H47IO2/c1-19(2)7-6-8-20(3)25-11-12-26-24-10-9-22-17-23(32-21(4)31)13-16-29(22,18-30)27(24)14-15-28(25,26)5/h9,19-20,23-27H,6-8,10-18H2,1-5H3/t20-,23+,24+,25-,26+,27+,28-,29-/m1/s1

InChIKey

LVQSCLBKGHGMFF-KVHJHAPGSA-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(C)=O