Products 3877-86-9

CAS 3877-86-9 appears in our catalog under these names: Cucurbitacin D, Cucurbitacin D/ 97.69% (existing batch purity), Cucurbitacin D (Standard), Cucurbitacin D, 99.93%. Offered by: Chemat Brand, TRC, TargetMol, Biosynth, MedChemExpress. Available pack sizes: on request, 50mg, 1mg, 2mg, 5mg, 10mg, 25mg, Get quote.

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

Cucurbitacin D is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23. It is a tertiary alpha-hydroxy ketone, a cucurbitacin and a secondary alpha-hydroxy ketone. It derives from a hydride of a lanostane.

Source: ChEBI

Identity
Molecular formulaC30H44O7
Molecular weight516.7 g/mol
IUPAC name(2S,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-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
InChIKeySRPHMISUTWFFKJ-QJNWWGCFSA-N
SMILESC[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O

Computed by PubChem (NCBI)