Products 18444-66-1

CAS 18444-66-1 appears in our catalog under these names: Cucurbitacin E, Cucurbitacin E, Cucurbitacin E/ 98.88% (existing batch purity), Cucurbitacin E, 98.00%, Cucurbitacin E 98+%. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 10mg, 1mg, 20mg, 5mg, 25mg, 50mg, 100mg.

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

Cucurbitacin E is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 1, 5 and 23. It is a tertiary alpha-hydroxy ketone and a cucurbitacin.

Source: ChEBI

Identity
Molecular formulaC32H44O8
Molecular weight556.7 g/mol
IUPAC name[(E,6R)-6-[(8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
InChIKeyNDYMQXYDSVBNLL-MUYMLXPFSA-N
SMILESCC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O

Computed by PubChem (NCBI)