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Substance Name: Budlein A
RN: 59481-48-0
InChIKey: BMVJFNLJSZHNNS-ZXRHVTAXSA-N

Note

  • Anti-inflammatory and analgesic sesquiterpene lactone from Viguiera robusta.

Molecular Formula

  • C20-H22-O7

Molecular Weight

  • 374.387
 
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Names and Synonyms

Results Name

  • Budlein A

Synonym

  • Budlein A

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,11-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(Z),6R*,10Z,11aR))-

Registry Numbers

CAS Registry Number

  • 59481-48-0

System Generated Number

  • 0059481480

Structure Descriptors

InChI

1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1

InChIKey

BMVJFNLJSZHNNS-ZXRHVTAXSA-N

Smiles

C(\C(=C/C)C)(=O)O[C@@H]1C[C@@]2(C(C=C(C(=C[C@H]3OC(C([C@H]13)=C)=O)CO)O2)=O)C