Neoquassin (Standard)

cas: 76-77-7 — see every product listed under this CAS number, including other names

Neoquassin (Standard) (CAS 76-77-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-122932R-Get quote
cas76-77-7
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Structural formula: {0} (CAS {1})

Neoquassin is a triterpenoid.

Source: ChEBI

Identity
Molecular formulaC22H30O6
Molecular weight390.5 g/mol
IUPAC name(1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
InChIKeyBDQNCUODBJZKIY-NUPPOKJBSA-N
SMILESC[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(O3)O)C)OC)C)C)OC

Computed by PubChem (NCBI)

Synonyms: Neoquassin, Neoquassine, Simalikahemiacetal A, Nigakihemiacetal B, Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy-, NEOQUASSIN [MI], hydroxy-dimethoxy-tetramethyl-[?]dione
Isomers (same molecular formula)
(1S,2S,4R,8R,9S,11S,12S,13R)-8-hydroperoxy-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C22H30O6
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] formate C22H30O6

Also listed as

Neoquassin Chemat Brand CAS 76-77-7
Neoquassin, ≥95%, ≥95% Chemat CAS 76-77-7

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