Jaspisamide C
Basic information
- CAS
149420-78-0- Standard SMILES
COC(CC1OC(=O)CC(O)C/C=C/C(=O)C(C)C(OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CCC1C)C(C)CCC(=O)C(C)C(OC)C(C)/C=C/N(C)C=O- InChIKey
XGTLKZLKDQCQIQ-ATRCVOFQSA-N- Molecular formula
- C45H62N4O12
- Average molar mass
- 851 g/mol
- Monoisotopic mass
- 850.43642343
Overview
Jaspisamide C has been reported in Jaspis with data available.
Names & identifiers
- Preferred name
- Jaspisamide C
- IUPAC
- N-[(E)-11-[(13E,24Z)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-3,5,9-trimethyl-6-oxoundec-1-enyl]-N-methylformamide
- English name
- jaspisamide C
- Molecular formula
- C45H62N4O12
- Molecular weight
- 851
Names & synonyms
Jaspisamide C149420-78-0Kabiramide C, 21-O-de(aminocarbonyl)-23,24-didehydro-14-demethoxy-23-demethyl-25-deoxy-25-oxo-N-[(E)-11-[(13E,24Z)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl]-4,10-dimethoxy-3,5,9-trimethyl-6-oxoundec-1-enyl]-N-methylformamideN-((E)-11-((13E,24Z)-16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo(24.2.1.12,5.16,9)hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4,10-dimethoxy-3,5,9-trimethyl-6-oxoundec-1-enyl)-N-methylformamideRefChem:150382Formamide, N-[11-(16-hydroxy-10-methoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-2(31),4,6(30),8,13,24,26(29),28-octaen-20-yl)-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-1-undecenyl]-N-methyl- (9CI)
Database identifiers
- CAS
149420-78-0
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 14
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Boiling point
- 985.765 · 985.765±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.223 · 1.223±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.763 · 13.763±0.70(predicted)
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Compound notes
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