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Substance Name: Ajugacumbin E
RN: 132922-43-1
InChIKey: PIIQPVTUGULYTD-SPWUECPUSA-N

Molecular Formula

  • C31-H42-O12

Molecular Weight

  • 606.661
 
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Names and Synonyms

  • Ajugacumbin E

Registry Numbers

CAS Registry Number

  • 132922-43-1

System Generated Number

  • 0132922431

Structure Descriptors

InChI

1S/C31H42O12/c1-16-10-24(42-20(5)34)30(14-39-28(37)17(2)18(3)32)27(29(16,7)9-8-22-11-26(36)38-13-22)23(41-19(4)33)12-25(43-21(6)35)31(30)15-40-31/h11,16,18,23-25,27,32H,2,8-10,12-15H2,1,3-7H3/t16?,18?,23-,24-,25-,27+,29-,30+,31?/m0/s1

InChIKey

PIIQPVTUGULYTD-SPWUECPUSA-N

Smiles

C(C([C@@H](C)O)=C)(=O)OC[C@]12[C@H](C[C@@H]([C@]([C@H]2[C@H](C[C@@H]([C@@]21OC2)OC(=O)C)OC(=O)C)(C)CCC=1COC(C1)=O)C)OC(=O)C