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Substance Name: Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)
RN: 86689-89-6
InChIKey: DWNPUOOVVWZXRN-UULAKNPHSA-N

Classification Code

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

Molecular Formula

  • C34-H54-O4

Molecular Weight

  • 542.7956
 
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Names and Synonyms

  • Cholest-5-en-3-ol (3beta)-, 3-(4-((1-oxo-2-propen-1-yl)oxy)butanoate)
  • Cholest-5-en-3-ol (3beta)-, 4-((1-oxo-2-propenyl)oxy)butanoate

Registry Numbers

CAS Registry Number

  • 86689-89-6

System Generated Number

  • 0086689896

Structure Descriptors

InChI

1S/C34H54O5/c1-7-30(37)39-31(38)13-9-12-23-28(35)17-19-34(6)27-16-18-33(5)25(22(4)11-8-10-21(2)3)14-15-26(33)24(27)20-29(36)32(23)34/h7,15,21-25,27-29,32,35-36H,1,8-14,16-20H2,2-6H3/t22-,23-,24-,25-,27-,28-,29+,32-,33-,34-/m0/s1

InChIKey

DWNPUOOVVWZXRN-UULAKNPHSA-N

Smiles

C[C@@H](CCCC(C)C)[C@@H]1CC=C2[C@]1(CC[C@H]3[C@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]([C@@H]4CCCC(=O)OC(=O)C=C)O)C)O)C