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Substance Name: Guayulin C
RN: 107812-57-7
InChIKey: AEXQMXFOIBLFPN-JHNOMLDSSA-N

Note

  • Isolated from Guayule (Parthenium argentatum).

Molecular Weight

  • 366.498
 
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Names and Synonyms

Name of Substance

  • Guayulin C

Synonym

  • Guayulin-C

Systematic Name

  • 2-Propenoic acid, 3-phenyl-, decahydro-7-hydroxy-1,1,7-trimethyl-4-methylene-1H-cycloprop(e)azulen-2-yl ester, (1aR-(1aalpha,2alpha,4aalpha,7beta,7abeta,7balpha))-

Registry Numbers

CAS Registry Number

  • 107812-57-7

System Generated Number

  • 0107812577

Structure Descriptors

InChI

1S/C24H30O3/c1-15-14-18(27-19(25)11-10-16-8-6-5-7-9-16)21-22(23(21,2)3)20-17(15)12-13-24(20,4)26/h5-11,17-18,20-22,26H,1,12-14H2,2-4H3/b11-10+/t17-,18-,20+,21+,22-,24+/m0/s1

InChIKey

AEXQMXFOIBLFPN-JHNOMLDSSA-N

Smiles

C(\C=C\c1ccccc1)(=O)O[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@](CC[C@H]3C(C1)=C)(C)O)C2(C)C