Desacetyldoronine

cas: 120481-77-8 — see every product listed under this CAS number, including other names

Desacetyldoronine (CAS 120481-77-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-N8603-Get quote
cas120481-77-8
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properties

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

Desacetyldoronine is a diol, an organic heterobicyclic compound, an organochlorine compound, a pyrrolizine alkaloid, a tertiary amino compound, an enone and a macrocyclic lactone. It has a role as a Jacobaea metabolite.

Source: ChEBI

Identity
Molecular formulaC19H28ClNO7
Molecular weight417.9 g/mol
IUPAC name(1R,4R,6R,7R,11Z)-4-[(1R)-1-chloroethyl]-4,7-dihydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
InChIKeyOMHSMPLRLNEBIB-NMUBGGKPSA-N
SMILESC[C@@H]1C[C@@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C)([C@@H](C)Cl)O

Computed by PubChem (NCBI)

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