Crassicauline A

cas: 79592-91-9 — see every product listed under this CAS number, including other names

Crassicauline A (CAS 79592-91-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 10mg, 20mg, 5mg, 25mg, 50mg. Offered by: GLPBio, TargetMol, Biosynth.

brandGLPBio
catalog numberGN10418-1
cas79592-91-9
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 522.15 Pln
GLPBio 10mg 859.15 Pln
GLPBio 20mg 1130.62 Pln
GLPBio 5mg 690.65 Pln
TargetMol 5mg 511.92 Pln
Biosynth 10mg price on request
Biosynth 5mg price on request
Biosynth 25mg price on request
Biosynth 50mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

Crassicauline A is a diterpene alkaloid with formula C35H49NO10 that is isolated from several Aconitum species. It has a role as a xenobiotic, a plant metabolite and a human urinary metabolite. It is a diterpene alkaloid, a tertiary alcohol, an aromatic ether, a bridged compound, a benzoate ester, an organic heteropolycyclic compound, a polyether, an acetate ester and a tertiary amino compound. It derives from a hydride of an aconitane.

Source: ChEBI

Identity
Molecular formulaC35H49NO10
Molecular weight643.8 g/mol
IUPAC name[(1S,2R,3R,4R,5S,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
InChIKeyGAZDXIGXYWVWQX-QVAFJCLZSA-N
SMILESCCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC

Computed by PubChem (NCBI)

Synonyms: Crassicauline A
Related forms of this compound
[(1S,2R,3R,4R,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate C35H49NO10
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C35H49NO10

Also listed as

3-Deoxyyunaconitine, >95% (HPLC) TRC CAS 79592-91-9
Crassicauline A TargetMol CAS 79592-91-9
8-(Acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate, 99.98% ,, 99.98% , Chemat CAS 79592-91-9
Crassicauline A (Standard) MedChemExpress CAS 79592-91-9
Crassicauline A, 98.99% MedChemExpress CAS 79592-91-9