β-Artelinic acid

CAS Registry Number®

120020-26-0
No image available.

CAS Name

β-Artelinic acid

Molecular Formula

C23H30O7

Molecular Mass

418.48

Cite this Page

β-Artelinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=120020-26-0 (retrieved 2024-04-25) (CAS RN: 120020-26-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H30O7/c1-13-4-9-18-14(2)20(26-12-15-5-7-16(8-6-15)19(24)25)27-21-23(18)17(13)10-11-22(3,28-21)29-30-23/h5-8,13-14,17-18,20-21H,4,9-12H2,1-3H3,(H,24,25)/t13-,14-,17+,18+,20+,21-,22-,23-/m1/s1

InChIKey

InChIKey=UVNHKOOJXSALHN-ILQPJIFQSA-N

SMILES

C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1OCC5=CC=C(C(O)=O)C=C5)(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)C1=CC=C(C=C1)COC2OC3OC4(OOC35C(CC4)C(C)CCC5C2C)C

Other Names for this Substance

  • Benzoic acid, 4-[[[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]methyl]-
  • Benzoic acid, 4-[[(decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl)oxy]methyl]-, [3R-(3α,5aβ,6β,8aβ,9α,10α,12β,12aR*)]-
  • 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, benzoic acid deriv.
  • 4-[[[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]methyl]benzoic acid
  • Artelinic acid

View All

Deleted or Replaced CAS Registry Numbers

109637-83-4

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser