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Substance Name: Torilin
RN: 13018-10-5
UNII: R81X95X49L
InChIKey: IQWVFAXBJQKUDH-TXCQZRSTSA-N

Note

  • A sesquiterpene from Torilis japonica.

Molecular Formula

  • C22-H32-O5

Molecular Weight

  • 376.4898
 
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Names and Synonyms

Results Name

  • Torilin

Name of Substance

  • Torilin

Synonyms

  • 5-(1-(Acetyloxy)-1-methylethyl)-1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-2-oxo-6-azulenyl 2-methyl-2-butenoate (5S-(5alpha,6alpha(Z),8alpha,8aalpha))-
  • Torilin
  • UNII-R81X95X49L

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 5-(1-(acetyloxy)-1-methylethyl)-1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-2-oxo-6-azulenyl ester, (5S-(5alpha,6alpha(Z),8alpha,8aalpha))-

Registry Numbers

CAS Registry Number

  • 13018-10-5

FDA UNII

  • R81X95X49L

System Generated Number

  • 0013018105

Structure Descriptors

InChI

1S/C22H32O5/c1-8-12(2)21(25)26-20-9-13(3)16-11-19(24)14(4)17(16)10-18(20)22(6,7)27-15(5)23/h8,13,16,18,20H,9-11H2,1-7H3/b12-8-/t13-,16+,18-,20+/m0/s1

InChIKey

IQWVFAXBJQKUDH-TXCQZRSTSA-N

Smiles

C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@H]2CC(=O)C(=C2C[C@@H]1C(C)(C)OC(=O)C)C)C