Schweinine
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Basic information
- CAS
133084-04-5- Standard SMILES
CC(=O)Oc1ccc2cc1[C@H](Cc1ccc(O)cc1)C(=O)N1CCCCNCCCN[C@@H]2CC(=O)NCCC1- InChIKey
LSZMIIMBHCIRKT-RRPNLBNLSA-N- Molecular formula
- C30H40N4O5
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.29987039
Overview
Schweinine has been reported in Schweinfurthia papilionacea with data available.
Names & identifiers
- Preferred name
- Schweinine
- IUPAC
- [(11R,17S)-17-[(4-hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate
- English name
- schweinine
- Molecular formula
- C30H40N4O5
- Molecular weight
- 536.66
Names & synonyms
Schweinine133084-04-5[(11R,17S)-17-[(4-hydroxyphenyl)methyl]-18,23-dioxo-1,6,10,22-tetrazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-trien-15-yl] acetate1,6,10,22-Tetraazatricyclo(9.7.6.112,16)pentacosa-12(25),13,15-triene-18,23-dione, 15-(acetyloxy)-17-((4-hydroxyphenyl)methyl)-, (11R-(11R*,17S*))-((11R,17S)-17-((4-hydroxyphenyl)methyl)-18,23-dioxo-1,6,10,22-tetrazatricyclo(9.7.6.112,16)pentacosa-12(25),13,15-trien-15-yl) acetateRefChem:181877orb1695251SCHEMBL29554871DTXSID80927928AKOS040753981T34580(11R,17S)-23-Hydroxy-17-[(4-hydroxyphenyl)methyl]-18-oxo-1,6,10,22-tetraazatricyclo[9.7.6.1~12,16~]pentacosa-12(25),13,15,22-tetraen-15-yl acetate
Show more names
PubChem ID: 164334
1,6,10,22-Tetraazatricyclo[9.7.6.112,16]pentacosa-12(25),13,15-triene-18,23-dione, 15-(acetyloxy)-17-[(4-hydroxyphenyl)methyl]-, (11R,17S)- (9CI)23-Hydroxy-17-[(4-hydroxyphenyl)methyl]-18-oxo-1,6,10,22-tetraazatricyclo[9.7.6.1~12,16~]pentacosa-12(25),13,15,22-tetraen-15-yl acetate
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- Boiling point
- 778.937 · 778.937±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.255 · 1.255±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.984 · 9.984±0.15(predicted)
Chemistry & industry
Applications
DescriptionSchweinine is a macrocylic alkaloid isolated from the whole plant of Schweinfurthia papilionacea.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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