Chaparrinone

CAS Registry Number®

22611-34-3

CAS Name

Chaparrinone

Molecular Formula

C20H26O7

Molecular Mass

378.42

Cite this Page

Chaparrinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22611-34-3 (retrieved 2025-02-19) (CAS RN: 22611-34-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-242 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1

InChIKey

InChIKey=VLYMLZRDCSQUQF-RZUZYEBMSA-N

SMILES

C[C@@]12[C@@]3([C@@]45[C@@](C[C@]1(C(C)=CC(=O)[C@H]2O)[H])(OC(=O)C[C@]4([C@@H](C)[C@@H](O)[C@]3(O)OC5)[H])[H])[H]

Canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C5(O)OCC24C(C1)C(C)C5O)C

Other Names for this Substance

  • Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1β,11β,12α)-
  • Chaparrinone
  • 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-ene-2,16-dione deriv.
  • (1β,11β,12α)-11,20-Epoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
  • (-)-Chaparrinone

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