Isoobacunoic acid

CAS Registry Number®

751-28-0

CAS Name

Isoobacunoic acid

Molecular Formula

C26H32O8

Molecular Mass

472.53

Cite this Page

Isoobacunoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=751-28-0 (retrieved 2025-02-19) (CAS RN: 751-28-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H32O8/c1-22(2)15-10-16(27)25(5)14(24(15,4)17(33-22)11-18(28)29)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-15,17,19-20H,6,8,10-11H2,1-5H3,(H,28,29)/t14-,15+,17+,19+,20-,23+,24-,25+,26-/m1/s1

InChIKey

InChIKey=HEKGWBIGPAUHQK-UGVRIGBXSA-N

SMILES

C[C@]12[C@]34[C@](C)([C@@H](OC(=O)[C@]3(O4)[H])C=5C=COC5)CC[C@@]1([C@]6(C)[C@@](CC2=O)(C(C)(C)O[C@H]6CC(O)=O)[H])[H]

Canonical SMILES

O=C(O)CC1OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC534)C6=COC=C6)C12C

Other Names for this Substance

  • Furo[3′,4′:5,6]naphth[2,1-c]oxireno[d]pyran-9-acetic acid, 1-(3-furanyl)tetradecahydro-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-, (1S,3aS,4aR,4bR,6aR,9S,9aR,9bR,11aS)-
  • Isoobacunoic acid
  • Limonoic acid, 19-deoxy-, δ-lactone
  • (1S,3aS,4aR,4bR,6aR,9S,9aR,9bR,11aS)-1-(3-Furanyl)tetradecahydro-4b,7,7,9a,11a-pentamethyl-3,5-dioxofuro[3′,4′:5,6]naphth[2,1-c]oxireno[d]pyran-9-acetic acid
  • Furo[3′,4′:5,6]naphth[2,1-c]oxireno[d]pyran-9-acetic acid, 1-(3-furanyl)tetradecahydro-4b,7,7,9a,11a-pentamethyl-3,5-dioxo-, [1S-(1α,3aα,4aR*,4bβ,6aα,9β,9aβ,9bα,11aα)]-

CAS INSIGHTSTM
Lithium-ion battery