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Substance Name: 15-(2(E)-Nonenoyl)bruceolide
RN: 111990-51-3
InChIKey: RBYMPZIGHKCGCJ-ADMHDRKJSA-N

Molecular Weight

  • 576.635
 
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Names and Synonyms

  • 15-(2(E)-Nonenoyl)bruceolide

Registry Numbers

CAS Registry Number

  • 111990-51-3

System Generated Number

  • 0111990513

Structure Descriptors

InChI

1S/C30H40O11/c1-5-6-7-8-9-10-11-19(32)41-22-24-29-14-39-30(24,27(37)38-4)25(35)21(34)23(29)28(3)13-17(31)20(33)15(2)16(28)12-18(29)40-26(22)36/h10-11,16,18,21-25,33-35H,5-9,12-14H2,1-4H3/b11-10+/t16-,18+,21?,22+,23+,24+,25-,28-,29+,30-/m0/s1

InChIKey

RBYMPZIGHKCGCJ-ADMHDRKJSA-N

Smiles

O[C@H]1[C@@H](O)[C@@H]2[C@@]3(C)CC(=O)C(O)=[C@](C)[C@@H]3C[C@@H]3[C@@]42CO[C@@]1(C(OC)=O)[C@@H]4[C@@H](OC(=O)\C=C\CCCCCC)C(=O)O3