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Substance Name: Ajugamarin F 1
RN: 122587-85-3
InChIKey: NTIOVLZNHFUWFE-MGWQJCOISA-N

Molecular Formula

  • C25-H38-O7

Molecular Weight

  • 450.568
 
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Names and Synonyms

Results Name

  • Ajugamarin F 1

Synonym

  • Ajugamarin F 1

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 122587-85-3

System Generated Number

  • 0122587853

Structure Descriptors

InChI

1S/C25H38O7/c1-5-15(2)22(29)32-18(17-10-21(28)30-12-17)11-23(4)16(3)9-20(27)25(13-26)19(23)7-6-8-24(25)14-31-24/h10,15-16,18-20,26-27H,5-9,11-14H2,1-4H3/t15-,16+,18-,19+,20-,23-,24?,25-/m0/s1

InChIKey

NTIOVLZNHFUWFE-MGWQJCOISA-N

Smiles

O1[C@@]2(CCC[C@@H]3[C@@]([C@@H](C[C@@H]([C@@]23CO)O)C)(C)C[C@@H](C=2COC(C2)=O)OC([C@H](CC)C)=O)C1