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Substance Name: Cholest-5-en-3-ol (3beta)-, 3-(11-((1-oxo-2-propen-1-yl)oxy)undecanoate)
RN: 79679-30-4
InChIKey: CXHQQCYLHQHQHJ-HEJWDGOXSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C41-H68-O4

Molecular Weight

  • 640.9832
 
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Names and Synonyms

  • Cholest-5-en-3-ol (3beta)-, 11-((1-oxo-2-propenyl)oxy)undecanoate
  • Cholest-5-en-3-ol (3beta)-, 3-(11-((1-oxo-2-propen-1-yl)oxy)undecanoate)

Registry Numbers

CAS Registry Number

  • 79679-30-4

Other Registry Number

  • 338462-83-2

System Generated Number

  • 0079679304

Structure Descriptors

InChI

1S/C41H68O5/c1-7-37(44)46-38(45)20-15-13-11-9-8-10-12-14-19-31-26-35-33(22-21-30-25-32(42)23-24-40(30,35)5)39-36(43)27-34(41(31,39)6)29(4)18-16-17-28(2)3/h7,21,28-29,31-36,39,42-43H,1,8-20,22-27H2,2-6H3/t29-,31-,32+,33+,34+,35-,36-,39+,40-,41+/m1/s1

InChIKey

CXHQQCYLHQHQHJ-HEJWDGOXSA-N

Smiles

C[C@H](CCCC(C)C)[C@@H]1C[C@H]([C@H]2[C@]1([C@@H](C[C@@H]3[C@@H]2CC=C4[C@]3(CC[C@@H](C4)O)C)CCCCCCCCCCC(=O)OC(=O)C=C)C)O