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Substance Name: 1-Pyrenemethyl-23,24-bisnor-5-cholen-22-oate-3beta-yl oleate
RN: 72535-39-8
InChIKey: ICFPCPYPZWCGNI-FDMUFAKGSA-N

Note

  • Photosensitizing agents.

Molecular Weight

  • 825.223
 
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Names and Synonyms

Name of Substance

  • 1-Pyrenemethyl-23,24-bisnor-5-cholen-22-oate-3beta-yl oleate

Synonym

  • 1-Pbcoo

Systematic Name

  • Pregn-5-ene-20-carboxylic acid, 3-((1-oxo-9-octadecenyl)oxy)-, 1-pyrenylmethyl ester, (3beta(Z),20S)-

Registry Numbers

CAS Registry Number

  • 72535-39-8

System Generated Number

  • 0072535398

Structure Descriptors

InChI

1S/C57H76O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-52(58)61-46-34-36-56(3)45(38-46)29-31-48-50-33-32-49(57(50,4)37-35-51(48)56)40(2)55(59)60-39-44-27-26-43-25-24-41-21-20-22-42-28-30-47(44)54(43)53(41)42/h12-13,20-22,24-30,40,46,48-51H,5-11,14-19,23,31-39H2,1-4H3/b13-12+/t40-,46-,48-,49+,50-,51-,56-,57+/m0/s1

InChIKey

ICFPCPYPZWCGNI-FDMUFAKGSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)C(=O)OCc5ccc6ccc7cccc8ccc5c6c78)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC(CCCCCCC\C=C\CCCCCCCC)=O