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Substance Name: Praeruptorin E
RN: 78478-28-1
InChIKey: UFUVJROSOIXJGR-WLISBCLRSA-N

Note

  • From root of Peucedanum praeruptorum Dunn.

Molecular Formula

  • C24-H28-O7

Molecular Weight

  • 428.478
 
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Names and Synonyms

Name of Substance

  • Praeruptorin E

Synonym

  • 3'-Angeloyl-4'-isovalerylkhellactone

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester, (9S-(9alpha(Z),10alpha))-

Registry Numbers

CAS Registry Number

  • 78478-28-1

System Generated Number

  • 0078478281

Structure Descriptors

InChI

1S/C24H28O7/c1-7-14(4)23(27)30-22-21(29-18(26)12-13(2)3)19-16(31-24(22,5)6)10-8-15-9-11-17(25)28-20(15)19/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22-/m0/s1

InChIKey

UFUVJROSOIXJGR-WLISBCLRSA-N

Smiles

O1c2c(c3oc(ccc3cc2)=O)[C@@H]([C@@H](C1(C)C)OC(\C(C)=C/C)=O)OC(CC(C)C)=O