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Substance Name: Ajugamarin G 1
RN: 122587-83-1
InChIKey: JTNPKPFJZRMAJE-OMMMTVEPSA-N

Molecular Formula

  • C34-H48-O11

Molecular Weight

  • 632.742
 
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Names and Synonyms

Results Name

  • Ajugamarin G 1

Synonym

  • Ajugamarin G 1

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(2-(2,5-dihydro-5-oxo-3-furanyl)-2-(2-methyl-1-oxobutoxy)ethyl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-4-yl ester, (1R-(1alpha,4beta(E),4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 122587-83-1

System Generated Number

  • 0122587831

Structure Descriptors

InChI

1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h9,14,20-21,25-27,29H,10-13,15-18H2,1-8H3/b19-9+/t20-,21+,25+,26-,27-,29+,32-,33?,34+/m0/s1

InChIKey

JTNPKPFJZRMAJE-OMMMTVEPSA-N

Smiles

C(\C(=C\C)C)(=O)O[C@@H]1CC[C@@]2([C@@]3([C@H](C[C@H]([C@@]([C@@H]13)(C)C[C@H](OC([C@H](CC)C)=O)C=1COC(C1)=O)C)OC(=O)C)COC(=O)C)OC2