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Substance Name: Ligustrin A
RN: 83145-46-4
InChIKey: VXOAPJVJWUAJCE-WECDMNCBSA-N

Molecular Weight

  • 1304.06
 
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Names and Synonyms

Results Name

  • Ligustrin A

Synonyms

  • Ligustrin A
  • Syringin

Systematic Name

  • Olean-12-en-28-oic acid, 3-((1-oxohexadecyl)oxy)-,3,4-bis-O-(1-oxohexadecyl)-R-L-arabinopyranosyl ester,(3alpha)-

Registry Numbers

CAS Registry Number

  • 83145-46-4

System Generated Number

  • 0083145464

Structure Descriptors

InChI

1S/C83H146O10/c1-11-14-17-20-23-26-29-32-35-38-41-44-47-50-71(84)90-67-64-89-76(74(87)75(67)92-73(86)52-49-46-43-40-37-34-31-28-25-22-19-16-13-3)93-77(88)83-61-59-78(4,5)63-66(83)65-53-54-69-80(8)57-56-70(79(6,7)68(80)55-58-82(69,10)81(65,9)60-62-83)91-72(85)51-48-45-42-39-36-33-30-27-24-21-18-15-12-2/h53,66-70,74-76,87H,11-52,54-64H2,1-10H3/t66-,67+,68?,69+,70-,74-,75+,76+,80+,81-,82-,83+/m1/s1

InChIKey

VXOAPJVJWUAJCE-WECDMNCBSA-N

Smiles

C1[C@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@H](O)[C@@H](OC(CCCCCCCCCCCCCCC)=O)[C@@H](OC(CCCCCCCCCCCCCCC)=O)CO6)CCC(C)(C)C[C@H]5C4=CC[C@@H]3[C@@]2(C1)C)OC(CCCCCCCCCCCCCCC)=O