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Substance Name: Ajugachin A
RN: 131086-64-1
InChIKey: MZEYOXXDMOFRMK-GUXDWVPKSA-N

Molecular Formula

  • C28-H40-O10

Molecular Weight

  • 536.614
 
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Names and Synonyms

Results Name

  • Ajugachin A

Synonyms

  • (-)-Ajugachin A
  • Ajugachin A
  • Caryoptinol, 2-hydroxy-, 3-(2-methylpropanoate), (2alpha,3beta)-

Systematic Names

  • Propanoic acid, 2-methyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-((2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl ester
  • Propanoic acid, 2-methyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl ester, (1R-(1alpha,2beta,3alpha,4abeta,5beta2S*,3aS*,6aS*),6alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 131086-64-1

System Generated Number

  • 0131086641

Structure Descriptors

InChI

1S/C28H40O10/c1-14(2)24(32)38-23-19(31)11-20-26(6,21-10-18-7-8-33-25(18)37-21)15(3)9-22(36-17(5)30)27(20,12-34-16(4)29)28(23)13-35-28/h7-8,14-15,18-23,25,31H,9-13H2,1-6H3/t15-,18-,19-,20-,21?,22+,23+,25+,26+,27+,28?/m1/s1

InChIKey

MZEYOXXDMOFRMK-GUXDWVPKSA-N

Smiles

C(C(C)C)(=O)O[C@@H]1[C@@]2([C@@]3([C@H](C[C@H]([C@@]([C@H]3C[C@H]1O)([C@@H]1C[C@@H]3[C@H](O1)OC=C3)C)C)OC(=O)C)COC(=O)C)OC2