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Substance Name: Stigmasteryl palmitoleate
RN: 1377184-66-1
UNII: 3C0B3B1GL6
InChIKey: JMIYKVDTFJOLBQ-NUXKBQDCSA-N

Molecular Formula

  • C45-H76-O2

Molecular Weight

  • 649.0934
 
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Names and Synonyms

Name of Substance

  • Stigmasteryl palmitoleate

Synonyms

  • Stigmasta-5,22-dien-3-ol, 3-(9Z)-9-hexadecenoate, (3beta,22E)-
  • Stigmasteryl palmitoleate
  • UNII-3C0B3B1GL6

Registry Numbers

CAS Registry Number

  • 1377184-66-1

FDA UNII

  • 3C0B3B1GL6

System Generated Number

  • 1377184661

Structure Descriptors

InChI

1S/C45H76O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h14-15,23-25,34-36,38-42H,8-13,16-22,26-33H2,1-7H3/b15-14-,24-23+/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

InChIKey

JMIYKVDTFJOLBQ-NUXKBQDCSA-N

Smiles

CCCCCC\C=C/CCCCCCCC(=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