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Substance Name: Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
RN: 25485-34-1
InChIKey: KJRLFFDMSLSIGS-UHFFFAOYSA-N

Molecular Formula

  • C34-H48-O2

Molecular Weight

  • 488.751
 
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Names and Synonyms

Synonyms

  • 4,6-Cholestadien-3beta-ol, benzoate
  • EINECS 247-021-3

Systematic Names

  • Cholesta-4,6-dien-3-ol, 3-benzoate, (3beta)-
  • Cholesta-4,6-dien-3-ol, benzoate, (3beta)-
  • Cholesta-4,6-dien-3beta-yl benzoate

Registry Numbers

CAS Registry Number

  • 25485-34-1

System Generated Number

  • 0025485341

Structure Descriptors

InChI

1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,22-24,27-31H,9-11,16-21H2,1-5H3

InChIKey

KJRLFFDMSLSIGS-UHFFFAOYSA-N

Smiles

C=1[C@@H]2[C@@H]([C@@]3(C(=C[C@@H](OC(c4ccccc4)=O)CC3)C1)C)CC[C@@]1([C@@H]2CC[C@@H]1[C@@H](CCCC(C)C)C)C