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Substance Name: Vernolide
RN: 27428-86-0
InChIKey: ZGXVZQZFVYSUDU-PBFHVCIPSA-N

Note

  • From Vernonia colorata (Compositae).

Molecular Formula

  • C19-H22-O7

Molecular Weight

  • 362.376
 
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Names and Synonyms

Name of Substance

  • Vernolide

Synonyms

  • Germacra-9,11(13)-dien-12-oic acid, 3,4:14,15-diepoxy-6,8,15-trihydroxy-, 12,8-lactone, 6-methacrylate
  • Methacrylic acid, 6-ester with 3,4:14,15-diepoxy-6,8,15-trihydroxygermacra-9,11(13)-dien-12-oic acid 12,8-lactone
  • NSC 124460

Systematic Names

  • 2-Propenoic acid, 2-methyl-, (1aR,4Z,5aR,8aR,9S,10aR,11R)-1a,2,5a,7,8,8a,9,10-octahydro-11-hydroxy-8-methylene-7-oxo-3H-4,10a-(methanoxymethano)oxireno(5,6)cyclodeca(1,2-b)furan-9-yl ester
  • 2-Propenoic acid, 2-methyl-, 1a,2,5a,7,8,8a,9,10-octahydro-11-hydroxy-8-methylene-7-oxo-3H-4,10a-(methanoxymethano)oxireno(5,6)cyclodeca(1,2-b)furan-9-yl ester, (1aR-(1aR*,4Z,5aR*,8aR*,9S*,10aR*,11R*))-

Registry Numbers

CAS Registry Number

  • 27428-86-0

Other Registry Number

  • 25423-01-2

System Generated Number

  • 0027428860

Structure Descriptors

InChI

1S/C19H22O7/c1-9(2)16(20)25-13-7-19-14(26-19)5-4-11(8-23-18(19)22)6-12-15(13)10(3)17(21)24-12/h6,12-15,18,22H,1,3-5,7-8H2,2H3/b11-6-/t12-,13+,14-,15+,18+,19-/m1/s1

InChIKey

ZGXVZQZFVYSUDU-PBFHVCIPSA-N

Smiles

O1[C@@]23[C@H]1CCC(=C[C@@H]1[C@@H]([C@H](C2)OC(C(C)=C)=O)C(C(=O)O1)=C)CO[C@@H]3O