PR toxin

CAS Registry Number®

56299-00-4
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CAS Name

PR toxin

Molecular Formula

C17H20O6

Molecular Mass

320.34

Cite this Page

PR toxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56299-00-4 (retrieved 2024-04-28) (CAS RN: 56299-00-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-157 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C17H20O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,7-8,12-14H,6H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1

InChIKey

InChIKey=GSPFUBNBRPVALJ-VIEAGMIOSA-N

SMILES

C(=O)[C@]1(C)[C@]2(O1)C[C@@]3(C)C(=CC2=O)[C@]4([C@@]([C@H](OC(C)=O)[C@@H]3C)(O4)[H])[H]

Canonical SMILES

O=CC1(OC21C(=O)C=C3C4OC4C(OC(=O)C)C(C)C3(C)C2)C

Other Names for this Substance

  • Spiro[naphth[1,2-b]oxirene-5(1aH),2′-oxirane]-3′-carboxaldehyde, 2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3′,3a-trimethyl-6-oxo-, (1aR,2R,2′R,3R,3′S,3aR,7bS)-
  • Spiro[naphth[1,2-b]oxirene-5(1aH),2′-oxirane]-3′-carboxaldehyde, 2-(acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3′,3a-trimethyl-6-oxo-, [1aR-[1aα,2β,3β,3aβ,5β(S*),7bα]]-
  • (1aR,2R,2′R,3R,3′S,3aR,7bS)-2-(Acetyloxy)-2,3,3a,4,6,7b-hexahydro-3,3′,3a-trimethyl-6-oxospiro[naphth[1,2-b]oxirene-5(1aH),2′-oxirane]-3′-carboxaldehyde
  • PR toxin
  • Toxin PR

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