Valerenal

CAS Registry Number®

4176-16-3
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CAS Name

Valerenal

Molecular Formula

C15H22O

Molecular Mass

218.33

Cite this Page

Valerenal.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4176-16-3 (retrieved 2024-09-07) (CAS RN: 4176-16-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey=RJZWGDPBGWGJNU-MTXIQXFFSA-N

SMILES

C(=C(/C=O)\C)\[C@H]1C=2[C@](CCC2C)([C@H](C)CC1)[H]

Canonical SMILES

O=CC(=CC1C2=C(C)CCC2C(C)CC1)C

Other Names for this Substance

  • 2-Propenal, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
  • Indene-4-acrolein, 2,4,5,6,7,7a-hexahydro-α,3,7-trimethyl-
  • 2-Propenal, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4α(E),7β,7aα]]-
  • (2E)-3-[(4S,7R,7aR)-2,4,5,6,7,7a-Hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenal
  • Valerenal

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Deleted or Replaced CAS Registry Numbers

1019705-70-4, 2407942-12-3