Products 2222-07-3

CAS 2222-07-3 appears in our catalog under these names: Cucurbitacin I, Cucurbitacin I, CUCURBITACIN I HYDRATE, >=95% (HPLC)&, Cucurbitacin I, Cucumis sati 1PC X 1MG, Cucurbitacin I (Standard). Offered by: Chemat Brand, TRC, GLPBio, Sigma-Aldrich, MedChemExpress. Available pack sizes: on request, 10mg, 1mg, 5mg, Get quote, 1 mg, 10 mg, 10mM/1mL.

Structural formula: {0} (CAS {1})

Cucurbitacin I is a cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene substituted by hydroxy groups at positions 2, 16, 20 and 25 and oxo groups at positions 1, 11 and 22. It has a role as an antineoplastic agent and a plant metabolite. It is a tertiary alpha-hydroxy ketone and a cucurbitacin.

Source: ChEBI

Identity
Molecular formulaC30H42O7
Molecular weight514.6 g/mol
IUPAC name(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
InChIKeyNISPVUDLMHQFRQ-MKIKIEMVSA-N
SMILESC[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O

Computed by PubChem (NCBI)