(1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, 98%

cas: 21416-53-5 — see every product listed under this CAS number, including other names

(1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, 98% (CAS 21416-53-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg. Offered by: Chemat.

• 2D
• 3D

Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is a picrotoxane sesquiterpenoid, a diol, a tertiary alcohol, an epoxide, a gamma-lactone and an organic heteropentacyclic compound. It is functionally related to a picrotoxinin.

Source: ChEBI

Identity

Molecular formula	C15H18O7
Molecular weight	310.30 g/mol
IUPAC name	(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
InChIKey	RYEFFICCPKWYML-QCGISDTRSA-N
SMILES	C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

Computed by PubChem (NCBI)

Synonyms: picrotin, DSSTox_CID_25605, DSSTox_RID_80998, DSSTox_GSID_45605, Pikrotin, Picrotin CRS, Picrotin (from Anamirta cocculus seed), Picrotin (VAN), Picrotin (NIST), Spectrum_000413

Isomers (same molecular formula)

ethyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate C₁₅H₁₈O₇

2-[2-(2-carboxyethyl)-3-hydroxybutoxy]carbonylbenzoic acid C₁₅H₁₈O₇

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate C₁₅H₁₈O₇