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Substance Name: alpha-Peroxyachifolid
RN: 134954-21-5
InChIKey: UMHHYRUGXILZJB-MVKXAPRWSA-N

Note

  • From yarrow (Achillea millefolium).

Molecular Formula

  • C20-H24-O7

Molecular Weight

  • 376.4026
 
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Names and Synonyms

Name of Substance

  • alpha-Peroxyachifolid

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 2,3,3a,5,6,9,9a,9b-octahydro-5-hydroxy-6,9-dimethyl-3-methylene-2-oxo-4H-6a,9-ethenofuro(2',3':3,4)cyclohepta(1,2-c)(1,2)dioxol-6-yl ester, (3aS-(3aalpha,5alpha,6alpha(E),6abeta,9beta,9aalpha,9bbeta))-

Registry Numbers

CAS Registry Number

  • 134954-21-5

System Generated Number

  • 0134954215

Structure Descriptors

InChI

1S/C20H24O7/c1-6-10(2)16(22)25-19(5)13(21)9-12-11(3)17(23)24-14(12)15-18(4)7-8-20(15,19)27-26-18/h6-8,12-15,21H,3,9H2,1-2,4-5H3/b10-6+/t12-,13+,14-,15?,18-,19+,20?/m0/s1

InChIKey

UMHHYRUGXILZJB-MVKXAPRWSA-N

Smiles

C/C=C(\C)/C(=O)O[C@@]1([C@@H](C[C@@H]2[C@@H](C3C14C=C[C@@]3(OO4)C)OC(=O)C2=C)O)C