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Substance Name: Cholest-5-en-3-ol (3beta)-, 3-(4-chlorobutanoate)
RN: 73112-99-9
InChIKey: FWOCLQPBUVEXDS-WTIYZCPMSA-N

Classification Code

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

Molecular Formula

  • C31-H51-Cl-O2

Molecular Weight

  • 491.1949
 
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Names and Synonyms

  • Cholest-5-en-3-ol (3beta)-, 3-(4-chlorobutanoate)
  • Cholest-5-en-3-ol (3beta)-, 4-chlorobutanoate

Registry Numbers

CAS Registry Number

  • 73112-99-9

Other Registry Numbers

  • 347383-41-9
  • 364062-45-3

System Generated Number

  • 0073112999

Structure Descriptors

InChI

1S/C31H51ClO2/c1-21(2)8-6-9-22(3)26-13-14-27-25-12-11-23-20-24(34-29(33)10-7-19-32)15-17-30(23,4)28(25)16-18-31(26,27)5/h11,21-22,24-28H,6-10,12-20H2,1-5H3/t22-,24+,25+,26-,27-,28+,30+,31-/m1/s1

InChIKey

FWOCLQPBUVEXDS-WTIYZCPMSA-N

Smiles

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