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Substance Name: Kansuiphorin A
RN: 135883-24-8
InChIKey: ILEDHBXLZDJQHK-UHFFFAOYSA-N

Note

  • From Euphorbia kansui.

Molecular Weight

  • 883.296
 
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Names and Synonyms

Name of Substance

  • Kansuiphorin A

Synonym

  • 13-Hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate-20-hexadecanoate

Systematic Name

  • Hexadecanoic acid, (6-(2,3-dimethyl-1-oxobutoxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-10a-((1-oxododecyl)oxy)-1H-2,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-4-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 135883-24-8

System Generated Number

  • 0135883248

Structure Descriptors

InChI

1S/C54H90O9/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-44(55)61-37-42-34-43-46-51(8,9)53(46,63-45(56)33-31-29-27-24-19-17-15-13-11-2)36-40(6)52(48(43)58)35-39(5)49(54(52,60)47(42)57)62-50(59)41(7)38(3)4/h34-35,38,40-41,43,46-47,49,57,60H,10-33,36-37H2,1-9H3

InChIKey

ILEDHBXLZDJQHK-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCCC)(=O)OCC1=C[C@@H]2[C@@H]3[C@@](C[C@@H]([C@@]4([C@@]([C@@H]1O)([C@@H](C(=C4)C)OC([C@@H](C(C)C)C)=O)O)C2=O)C)(C3(C)C)OC(CCCCCCCCCCC)=O