(-)-Picrotoxinin

CAS Registry Number®

17617-45-7
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CAS Name

(-)-Picrotoxinin

Molecular Formula

C15H16O6

Molecular Mass

292.28

Cite this Page

(-)-Picrotoxinin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17617-45-7 (retrieved 2024-06-26) (CAS RN: 17617-45-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1

InChIKey

InChIKey=PIMZUZSSNYHVCU-YKWPQBAZSA-N

SMILES

C[C@]12[C@@]34[C@](O3)(C[C@@]1(O)[C@@]5([C@H](C(C)=C)[C@]([C@]2(OC4=O)[H])(OC5=O)[H])[H])[H]

Canonical SMILES

O=C1OC2C3OC(=O)C45OC5CC(O)(C1C2C(=C)C)C34C

Other Names for this Substance

  • 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-
  • Picrotoxinin
  • 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, [1aR-(1aα,2aβ,3β,6β,6aβ,8aS*,8bβ,9R*)]-
  • (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-Hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione
  • (-)-Picrotoxinin

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