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Substance Name: Ajugacumbin A
RN: 124961-66-6
InChIKey: TWZAPYCYRPQAOD-CTGMRMAZSA-N

Molecular Weight

  • 474.59
 
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Names and Synonyms

  • Ajugacumbin A

Registry Numbers

CAS Registry Number

  • 124961-66-6

System Generated Number

  • 0124961666

Structure Descriptors

InChI

1S/C27H38O7/c1-6-17(2)24(30)32-16-27-21(8-7-10-26(27)15-33-26)25(5,11-9-20-13-23(29)31-14-20)18(3)12-22(27)34-19(4)28/h6,13,18,21-22H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26?,27+/m1/s1

InChIKey

TWZAPYCYRPQAOD-CTGMRMAZSA-N

Smiles

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