Basic information
- CAS
348098-59-9- Standard SMILES
CC(=O)CC1c2cc3c(cc2-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3- InChIKey
GJBHZMIAIYWRBK-UHFFFAOYSA-N- Molecular formula
- C23H19NO5
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.12632271
Overview
8-Acetonyldihydroavicine has been reported in Zanthoxylum rhoifolium with data available.
Names & identifiers
- Preferred name
- 8-Acetonyldihydroavicine
- IUPAC
- 1-(12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaen-11-yl)propan-2-one
- English name
- 8-acetonyldihydroavicine
- Molecular formula
- C23H19NO5
- Molecular weight
- 389.4
Names & synonyms
8-Acetonyldihydroavicine1-(12-Methyl-5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaen-11-yl)propan-2-one1-(12-methyl-5,7,17,19-tetraoxa-12-azahexacyclo(11.11.0.02,10.04,8.014,22.016,20)tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaen-11-yl)propan-2-one8-acetonyldihydro-avicineRefChem:914496orb1991728DTXSID601112951AKOS040735032FS-7679T124988(-)-1-(5,6-Dihydro-5-methyl-1,3-benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridin-6-yl)-2-propanone1-(5-Methyl-5,6-dihydro-2H,9H-[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridin-6-yl)propan-2-one
Show more names
2-Propanone, 1-(5,6-dihydro-5-methyl-1,3-benzodioxolo[5,6-c][1,3]dioxolo[4,5-j]phenanthridin-6-yl)-, (-)-
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
Chemistry & industry
Suppliers6 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
上海抚生实业有限公司021-52961053 13524666654 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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