Basic information
- CAS
72509-61-6- Standard SMILES
CC[C@H]1[C@H]2[C@H]([C@@H](C)c3c[nH]c4ccccc34)NC(=O)[C@]23C(=O)/C=C/C(=O)[C@H](O)/C(C)=C\[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C- InChIKey
RSYKJHLWNMXRKZ-RVUXUPINSA-N- Molecular formula
- C34H40N2O5
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.29372238
Overview
Chaetoglobosin K is a cytochalasin. It has a role as a fungal metabolite.
Names & identifiers
- Preferred name
- Chaetoglobosin K
- IUPAC
- (1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-6-hydroxy-19-[(1S)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
- English name
- CHAETOGLOBOSINK
- Molecular formula
- C34H40N2O5
- Molecular weight
- 556.699
Names & synonyms
Chaetoglobosin K72509-61-6DTXSID701036059(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-Ethyl-6-hydroxy-19-[(1S)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-6-hydroxy-19-((1S)-1-(1H-indol-3-yl)ethyl)-7,9,16-trimethyl-15-oxa-20-azatetracyclo(11.8.0.01,18.014,16)henicosa-3,7,11-triene-2,5,21-trioneRefChem:124889DTXCID601520283BRN 473237310,11-Dinor(13)cytochalasa-13,17,21-triene-1,20,23-trione, 6,7-epoxy-5-ethyl-19-hydroxy-3-(1-(1H-indol-3-yl)ethyl)-16,18-dimethyl-, (3S(R),5S,7S,13E,16S,17E,19R,21E)-CHEBI:2198303H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione, 15-ethyl-4,7,14,14a,15,15a,16a,16b-octahydro-7-hydroxy-14-[(1S)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-CHAETOGLOBOSINK
Show more names
Nicarbazin Impurity 2(3S,5S,7S,13E,16S,17E,19R,21E)-6,7-Epoxy-5-ethyl-19-hydroxy-3-[(R)-1-(1H-indol-3-yl)ethyl]-16,18-dimethyl-10,11-dinor[13]cytochalasa-13,17,21-triene-1,20,23-trione
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…