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Substance Name: Stigmasterol 3-palmitate
RN: 2308-84-1
UNII: X46Z285780
InChIKey: OHLDETMXEXJUDZ-SYYHSBNDSA-N

Molecular Formula

  • C45-H78-O2

Molecular Weight

  • 651.1092
 
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Names and Synonyms

Name of Substance

  • Stigmasterol 3-palmitate

Synonym

  • UNII-X46Z285780

Registry Numbers

CAS Registry Number

  • 2308-84-1

FDA UNII

  • X46Z285780

System Generated Number

  • 0002308841

Structure Descriptors

InChI

1S/C45H78O2/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/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

InChIKey

OHLDETMXEXJUDZ-SYYHSBNDSA-N

Smiles

CCCCCCCCCCCCCCCC(=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