6β-Iodomethylcholesterol-131I

CAS Registry Number®

56897-09-7
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CAS Name

6β-Iodomethylcholesterol-131I

Molecular Formula

C27H45IO

Cite this Page

6β-Iodomethylcholesterol-131I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56897-09-7 (retrieved 2024-04-28) (CAS RN: 56897-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4

InChIKey

InChIKey=QJHZPCLORSPENH-DRTKWHMQSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C4=C([C@H](C[131I])C3)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

ICC1C2=C(CCC(O)C2)C3CCC4(C)C(CCC4C3C1)C(C)CCCC(C)C

Other Names for this Substance

  • 19-Norcholest-5(10)-en-3-ol, 6-(iodo-131I-methyl)-, (3β,6β)-
  • (3β,6β)-6-(Iodo-131I-methyl)-19-norcholest-5(10)-en-3-ol
  • 6β-Iodomethyl-19-norcholest-5-[10]-en-3β-ol-6-131I
  • 6β-Iodomethylcholesterol-131I

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