Basic information
- CAS
26195-62-0- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5C2)CCN1C- InChIKey
SVMNNRZZJAFEJM-UHFFFAOYSA-N- Molecular formula
- C36H36N2O5
- Average molar mass
- 576.7 g/mol
- Monoisotopic mass
- 576.26242225
Overview
6,12'-Dimethoxy-2,2'-dimethyl-6',7-epoxyoxyacanthan has been reported in Stephania hernandifolia, Stephania erecta, and other organisms with data available.
Names & identifiers
- Preferred name
- 6,12'-Dimethoxy-2,2'-dimethyl-6',7-epoxyoxyacanthan
- IUPAC
- 13,27-dimethoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
- English name
- N,O-Dimethylcocsoline
- Molecular formula
- C36H36N2O5
- Molecular weight
- 576.68
Names & synonyms
DTXSID909490706,12'-dimethoxy-2,2'-dimethyl-6',7-epoxyoxyacanthan13,27-dimethoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo(19.9.3.216,19.14,30.110,14.03,8.025,33.028,32)heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene13,27-dimethoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaeneRefChem:305956DTXCID901377273IsotrilobineIsotrilobinHomotrilobinHomotrilobine(+)-IsotrilobineN,O-Dimethylcocsoline
Show more names
2H-22,26-Epoxy-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-9,21-dimethoxy-4,17-dimethyl-, (4aS,16aS)-
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 960
Physicochemical properties
- Melting point
- 215 ° · 215°
- alpha
- 317 ° · D +317° (chloroform)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 7.46 · 7.46±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 21 F188O · WIB21F188O
Chemistry & industry
Applications
DescriptionThis isomeride of the preceding alkaloid also occurs in Cocculus sarmentosus Diels and C. trilobus DC. It crystallizes in stellate clusters of colourless prisms and has [α]19D + 293°. The dihydrochloride also forms prisms, m.p. 310°C and the dimethiodide decomposes at 262°C. The base also contains two methoxyl groups and two methylimino groups and the corresponding methylmethine has m.p. 115°C and is optically inactive.
Suppliers3 total
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Related reactions
0 records
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Compound notes
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