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Substance Name: beta-Sitosterol isostearate
RN: 169739-09-7
UNII: 5N173DT21C
InChIKey: BXBMUBYHCYVLBD-QXKOIZLYSA-N

Molecular Formula

  • C47-H84-O2

Molecular Weight

  • 681.1786
 
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Names and Synonyms

Name of Substance

  • beta-Sitosterol isostearate

Synonyms

  • beta-Sitosterol isostearate
  • beta-Sitosteryl isostearate
  • Stigmast-5-en-3-ol, isooctadecanoate, (3beta)-
  • Stigmast-5-en-3beta-ol isostearate
  • UNII-5N173DT21C

Registry Numbers

CAS Registry Number

  • 169739-09-7

FDA UNII

  • 5N173DT21C

System Generated Number

  • 0169739097

Structure Descriptors

InChI

1S/C47H84O2/c1-9-38(36(4)5)25-24-37(6)42-28-29-43-41-27-26-39-34-40(30-32-46(39,7)44(41)31-33-47(42,43)8)49-45(48)23-21-19-17-15-13-11-10-12-14-16-18-20-22-35(2)3/h26,35-38,40-44H,9-25,27-34H2,1-8H3/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

InChIKey

BXBMUBYHCYVLBD-QXKOIZLYSA-N

Smiles

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCCCCCCCCC(C)C)C(C)C