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Substance Name: 3-(3,4-Dimethyl-2-pentenoyl)bruceolide
RN: 76215-41-3
InChIKey: BWWBVYCRHIPHAL-YZXCVYKJSA-N

Molecular Formula

  • C28-H36-O11

Molecular Weight

  • 548.581
 
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Names and Synonyms

Results Name

  • 3-(3,4-Dimethyl-2-pentenoyl)bruceolide

Synonym

  • 3-(3,4-Dimethyl-2-pentenoyl)bruceolide

Systematic Name

  • Picras-3-en-21-oic acid, 3-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-11,12,15-trihydroxy-2,16-dioxo-, methyl ester, (3(E),11beta,12alpha,15beta)-

Registry Numbers

CAS Registry Number

  • 76215-41-3

System Generated Number

  • 0076215413

Structure Descriptors

InChI

1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-13(4)14-8-16-27-10-37-28(25(35)36-6,22(27)19(32)24(34)38-16)23(33)18(31)21(27)26(14,5)9-15(20)29/h7,11,14,16,18-19,21-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,18+,19+,21?,22+,23-,26-,27+,28-/m0/s1

InChIKey

BWWBVYCRHIPHAL-YZXCVYKJSA-N

Smiles

C1[C@H]2OC(=O)[C@@H]([C@@H]3[C@]42[C@@H]([C@@H](O)[C@@H](O)[C@]3(OC4)C(OC)=O)[C@@]2(CC(C(OC(\C=C(\C(C)C)C)=O)=C([C@H]12)C)=O)C)O