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Substance Name: Cholesteryl cervonate
RN: 70110-50-8
InChIKey: MSROWXDDJJHSIL-QLPNHTALSA-N

Molecular Formula

  • C49-H76-O2

Molecular Weight

  • 697.1374
 
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Names and Synonyms

Name of Substance

  • Cholesteryl cervonate

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, 4,7,10,13,16,19-docosahexaenoate

Registry Numbers

CAS Registry Number

  • 70110-50-8

System Generated Number

  • 0070110508

Structure Descriptors

InChI

1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-31-33-44-41(38-42)30-32-45-46-35-34-43(40(4)28-26-27-39(2)3)48(46,5)36-37-49(44,45)6/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42?,43-,44+,45+,46+,48-,49-/m1/s1

InChIKey

MSROWXDDJJHSIL-QLPNHTALSA-N

Smiles

CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC1CC[C@H]2C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23C)C1