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Substance Name: Stigmasterol 3-stearate
RN: 23838-16-6
UNII: 8206201S8J
InChIKey: OCCJRXYEZCKHHI-DZTXZVRESA-N

Molecular Formula

  • C47-H82-O2

Molecular Weight

  • 679.1628
 
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Names and Synonyms

Name of Substance

  • Stigmasterol 3-stearate

Synonym

  • UNII-8206201S8J

Registry Numbers

CAS Registry Number

  • 23838-16-6

FDA UNII

  • 8206201S8J

System Generated Number

  • 0023838166

Structure Descriptors

InChI

1S/C47H82O2/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/h25-27,36-38,40-44H,8-24,28-35H2,1-7H3/b26-25+/t37-,38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

InChIKey

OCCJRXYEZCKHHI-DZTXZVRESA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)\C=C\[C@@H](CC)C(C)C