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Substance Name: Ajugamarin F 4
RN: 122587-84-2
InChIKey: LJHYCABROUGORR-RHULUVNISA-N

Molecular Formula

  • C29-H42-O9

Molecular Weight

  • 534.642
 
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Names and Synonyms

Results Name

  • Ajugamarin F 4

Synonym

  • Ajugamarin F 4

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122587-84-2

System Generated Number

  • 0122587842

Structure Descriptors

InChI

1S/C29H42O9/c1-7-17(2)26(33)38-22(21-12-25(32)34-14-21)13-27(6)18(3)11-24(37-20(5)31)29(16-35-19(4)30)23(27)9-8-10-28(29)15-36-28/h12,17-18,22-24H,7-11,13-16H2,1-6H3/t17-,18+,22-,23+,24-,27-,28?,29-/m0/s1

InChIKey

LJHYCABROUGORR-RHULUVNISA-N

Smiles

C([C@H](CC)C)(=O)O[C@@H](C[C@@]1([C@H]2CCC[C@@]3([C@@]2([C@H](C[C@H]1C)OC(=O)C)COC(=O)C)OC3)C)C=1COC(C1)=O