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Substance Name: Cholest-5-en-3-ol (3beta)-, 3-(11-bromoundecanoate)
RN: 82962-34-3
InChIKey: DIPGSHTZYTZXEJ-HMVYLTCSSA-N

Classification Code

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

Molecular Formula

  • C38-H65-Br-O2

Molecular Weight

  • 633.8335
 
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Names and Synonyms

  • Cholest-5-en-3-ol (3beta)-, 11-bromoundecanoate
  • Cholest-5-en-3-ol (3beta)-, 3-(11-bromoundecanoate)

Registry Numbers

CAS Registry Number

  • 82962-34-3

System Generated Number

  • 0082962343

Structure Descriptors

InChI

1S/C38H65BrO2/c1-28(2)15-14-16-29(3)33-20-21-34-32-19-18-30-27-31(22-24-37(30,4)35(32)23-25-38(33,34)5)41-36(40)17-12-10-8-6-7-9-11-13-26-39/h18,28-29,31-35H,6-17,19-27H2,1-5H3/t29-,31+,32+,33-,34+,35+,37+,38-/m1/s1

InChIKey

DIPGSHTZYTZXEJ-HMVYLTCSSA-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)CCCCCCCCCCBr)C)C