Zizanoic acid

CAS Registry Number®

16203-25-1

CAS Name

Zizanoic acid

Molecular Formula

C15H22O2

Molecular Mass

234.33

Cite this Page

Zizanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16203-25-1 (retrieved 2024-12-23) (CAS RN: 16203-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    202-205 °C @ Press: 13 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m1/s1

InChIKey

InChIKey=IJGMVUXEZUEDJR-RTWAVKEYSA-N

SMILES

C(O)(=O)[C@@H]1[C@@]23[C@@](C(=C)C(C)(C)[C@@](C2)(CC3)[H])(CC1)[H]

Canonical SMILES

O=C(O)C1CCC2C(=C)C(C)(C)C3CCC12C3

Other Names for this Substance

  • 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
  • Khusenic acid
  • Vetivenic acid
  • 1H-3aα,6-Methanoazulene-3-carboxylic acid, 2,3β,4,5,6β,7,8,8aα-octahydro-7,7-dimethyl-8-methylene-
  • 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3α,3aα,6α,8aα)]-

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Deleted or Replaced CAS Registry Numbers

18444-87-6, 24173-84-0, 26410-01-5, 33171-55-0, 46756-36-9

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