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Substance Name: Cholesteryl parinaratecholesteryl parinarate
RN: 72467-67-5
InChIKey: VKFWRMXFODQCJN-GLCDNDOZSA-N

Molecular Weight

  • 645.062
 
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Names and Synonyms

Name of Substance

  • Cholesteryl parinaratecholesteryl parinarate

Synonym

  • Cholesteryl cis-parinarate

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, 9,11,13,15-octadecatetraenoate, (3(9Z,11E,13E,15Z))-

Registry Numbers

CAS Registry Number

  • 72467-67-5

System Generated Number

  • 0072467675

Structure Descriptors

InChI

1S/C45H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-15,26,35-36,38-42H,7,16-25,27-34H2,1-6H3/b9-8+,11-10+,13-12+,15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

InChIKey

VKFWRMXFODQCJN-GLCDNDOZSA-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)C)OC(CCCCCCC\C=C\C=C\C=C\C=C\CC)=O