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Substance Name: beta-Sitosteryl stearate
RN: 34137-25-2
UNII: 923PUN8451
InChIKey: ZXGIHLGVUYXAEI-QXKOIZLYSA-N

Molecular Formula

  • C47-H84-O2

Molecular Weight

  • 681.1786
 
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Names and Synonyms

Name of Substance

  • beta-Sitosteryl stearate

Synonym

  • UNII-923PUN8451

Systematic Name

  • Stigmast-5-en-3-ol, octadecanoate, (3beta)-

Registry Numbers

CAS Registry Number

  • 34137-25-2

FDA UNII

  • 923PUN8451

System Generated Number

  • 0034137252

Structure Descriptors

InChI

1S/C47H84O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h27,36-38,40-44H,8-26,28-35H2,1-7H3/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

InChIKey

ZXGIHLGVUYXAEI-QXKOIZLYSA-N

Smiles

C(CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC2=CC[C@H]3[C@H]4[C@@]([C@@H]([C@@H](CC[C@H](C(C)C)CC)C)CC4)(CC[C@@H]3[C@]2(CC1)C)C)C