(-)-Valerenic acid

CAS Registry Number®

3569-10-6
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CAS Name

(-)-Valerenic acid

Molecular Formula

C15H22O2

Molecular Mass

234.33

Cite this Page

(-)-Valerenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3569-10-6 (retrieved 2024-04-16) (CAS RN: 3569-10-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140-142 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1

InChIKey

InChIKey=FEBNTWHYQKGEIQ-SUKRRCERSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Propenoic acid, 3-[(4S,7R,7aR)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
  • Indene-4-acrylic acid, 2,4,5,6,7,7a-hexahydro-α,3,7-trimethyl-
  • Valerenic acid
  • 2-Propenoic acid, 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-propenoic acid

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Deleted or Replaced CAS Registry Numbers

64130-69-4, 866350-53-0

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