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Substance Name: Ajugalactone
RN: 42975-12-2
InChIKey: LLPOMLNTBDOEOC-LYUHEGIFSA-N

Molecular Formula

  • C29-H40-O8

Molecular Weight

  • 516.627
 
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Names and Synonyms

  • Ajugalactone

Registry Numbers

CAS Registry Number

  • 42975-12-2

System Generated Number

  • 0042975122

Structure Descriptors

InChI

1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1

InChIKey

LLPOMLNTBDOEOC-LYUHEGIFSA-N

Smiles

C1[C@H]([C@](C)(O)[C@@H]2[C@@]3([C@@](C4=CC([C@@H]5C[C@@H](O)[C@H](C[C@@]5(C)[C@H]4CC3=O)O)=O)(CC2)O)C)OC(C(C)=C1CC)=O