Hydroxyvalerenic acid

CAS Registry Number®

1619-16-5

CAS Name

Hydroxyvalerenic acid

Molecular Formula

C15H22O3

Molecular Mass

250.33

Cite this Page

Hydroxyvalerenic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1619-16-5 (retrieved 2024-11-24) (CAS RN: 1619-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1

InChIKey

InChIKey=XJNQXTISSHEQKD-UNXUOHHUSA-N

SMILES

C(=C(/C(O)=O)\C)\[C@H]1C=2[C@]([C@H](O)CC2C)([C@H](C)CC1)[H]

Canonical SMILES

O=C(O)C(=CC1C2=C(C)CC(O)C2C(C)CC1)C

Other Names for this Substance

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

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