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Substance Name: Bigelovin
RN: 3668-14-2
InChIKey: DCNRYQODUSSOKC-MMLVVLEOSA-N

Note

  • A potent cytotoxic sesquiterpene lactone from Inula sp.

Molecular Formula

  • C17-H20-O5

Molecular Weight

  • 304.34
 
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Names and Synonyms

Name of Substance

  • Bigelovin

Synonym

  • Bigelovin

Systematic Name

  • Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8alpha-dihydroxy-4-oxo-, 12,8-lactone, acetate

Registry Numbers

CAS Registry Number

  • 3668-14-2

System Generated Number

  • 0003668142

Structure Descriptors

InChI

1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

InChIKey

DCNRYQODUSSOKC-MMLVVLEOSA-N

Smiles

C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2