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Substance Name: Ajugacumbin C
RN: 124961-68-8
InChIKey: YFBKCESBPAGZCB-DMOSALLVSA-N

Molecular Weight

  • 590.662
 
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Names and Synonyms

  • Ajugacumbin C

Registry Numbers

CAS Registry Number

  • 124961-68-8

System Generated Number

  • 0124961688

Structure Descriptors

InChI

1S/C31H42O11/c1-8-17(2)28(36)38-15-30-24(41-20(5)33)11-18(3)29(7,10-9-22-12-26(35)37-14-22)27(30)23(40-19(4)32)13-25(42-21(6)34)31(30)16-39-31/h8,12,18,23-25,27H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30-,31?/m1/s1

InChIKey

YFBKCESBPAGZCB-DMOSALLVSA-N

Smiles

C(\C(=C\C)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