Colocynthin (Standard)

cas: 1398-78-3 — see every product listed under this CAS number, including other names

Colocynthin (Standard) (CAS 1398-78-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N13100R-Get quote
cas1398-78-3
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Structural formula: {0} (CAS {1})

Cucurbitacin E 2-O-beta-D-glucopyranoside is a triterpenoid saponin that is cucurbitacin E attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. Isolated from Machilus yaoshansis it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a tertiary alpha-hydroxy ketone, a cucurbitacin, a beta-D-glucoside, an acetate ester, a triterpenoid saponin and a monosaccharide derivative. It is functionally related to a cucurbitacin E.

Source: ChEBI

Identity
Molecular formulaC38H54O13
Molecular weight718.8 g/mol
IUPAC name[(E,6R)-6-hydroxy-6-[(8S,9R,10R,13R,14S,16R,17R)-16-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-17-yl]-2-methyl-5-oxohept-3-en-2-yl] acetate
InChIKeyQKEJRKXVLGOJMB-YYBMGDPWSA-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@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O

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