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Substance Name: Valerenal
RN: 4176-16-3
InChIKey: RJZWGDPBGWGJNU-MTXIQXFFSA-N

Note

  • Component of essential oil of Valeriana officinalis.

Molecular Formula

  • C15-H22-O

Molecular Weight

  • 218.338
 
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Names and Synonyms

Name of Substance

  • Valerenal

Systematic Name

  • 2-Propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-

Registry Numbers

CAS Registry Number

  • 4176-16-3

System Generated Number

  • 0004176163

Structure Descriptors

InChI

InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1

InChIKey

RJZWGDPBGWGJNU-MTXIQXFFSA-N

Smiles

C[C@@H]1CC[C@@H](\C=C(/C)\C=O)C2=C(C)CC[C@H]12