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Substance Name: Ibotalactone A
RN: 123562-48-1
InChIKey: DOEYURMMLVVQGA-LIWKHZBYSA-N

Molecular Weight

  • 536.483
 
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Names and Synonyms

  • Ibotalactone A

Registry Numbers

CAS Registry Number

  • 123562-48-1

System Generated Number

  • 0123562481

Structure Descriptors

InChI

1S/C25H28O13/c1-11-19-14(8-18(28)36-11)15(23(32)33)9-35-24(19)38-25-22(31)21(30)20(29)16(37-25)10-34-17(27)7-4-12-2-5-13(26)6-3-12/h2-7,9,11,14,16,19-22,24-26,29-31H,8,10H2,1H3,(H,32,33)/b7-4+/t11-,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1

InChIKey

DOEYURMMLVVQGA-LIWKHZBYSA-N

Smiles

C1[C@H]2[C@@H]([C@H](OC1=O)C)[C@@H](OC=C2C(=O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(\C=C\c1ccc(cc1)O)=O