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Substance Name: Cholesteryl-6-pyrenylhexanoate
RN: 96886-70-3
InChIKey: YRAVQIYIXJZCDI-UCVGMQCJSA-N

Molecular Formula

  • C49-H64-O2

Molecular Weight

  • 685.043
 
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Names and Synonyms

Name of Substance

  • Cholesteryl-6-pyrenylhexanoate

Synonyms

  • Cholesteryl(pyren-1-yl)hexanoate
  • ChPH
  • P6Chol

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, 3-pyrenehexanoate

Registry Numbers

CAS Registry Number

  • 96886-70-3

System Generated Number

  • 0096886703

Structure Descriptors

InChI

1S/C49H64O2/c1-32(2)11-9-12-33(3)42-25-26-43-41-24-22-38-31-39(27-29-48(38,4)44(41)28-30-49(42,43)5)51-45(50)16-8-6-7-13-34-17-18-37-20-19-35-14-10-15-36-21-23-40(34)47(37)46(35)36/h10,14-15,17-23,32-33,39,41-44H,6-9,11-13,16,24-31H2,1-5H3/t33-,39+,41+,42?,43+,44+,48+,49-/m1/s1

InChIKey

YRAVQIYIXJZCDI-UCVGMQCJSA-N

Smiles

c1c2ccc3c4c(ccc(c24)cc1)c(CCCCCC(O[C@@H]1CC=2[C@@](CC1)([C@@H]1[C@@H](CC2)[C@H]2[C@@](CC1)([C@@H](CC2)[C@@H](CCCC(C)C)C)C)C)=O)cc3