Ailanthone

CAS Registry Number®

981-15-7
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CAS Name

Ailanthone

Molecular Formula

C20H24O7

Molecular Mass

376.40

Cite this Page

Ailanthone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=981-15-7 (retrieved 2024-05-05) (CAS RN: 981-15-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-237 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C20H24O7/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/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1

InChIKey

InChIKey=WBBVXGHSWZIJST-RLQYZCPESA-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(=C)[C@@H](O)[C@]3(O)OC5)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1β,11β,12α)-
  • 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione, 1,3a,4,7,7a,11,11a,11b-octahydro-1α,2β,11β-trihydroxy-8,11aβ-dimethyl-3-methylene-
  • Ailanthone
  • (1β,11β,12α)-11,20-Epoxy-1,11,12-trihydroxypicrasa-3,13(21)-diene-2,16-dione
  • Δ13-Dehydrochaparrinone

View All

Deleted or Replaced CAS Registry Numbers

875827-88-6, 162517-11-5

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