| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-07-28 20:15:15 UTC |
|---|
| Updated at | 2020-11-18 16:40:14 UTC |
|---|
| CannabisDB ID | CDB006198 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | Spinosyn D |
|---|
| Description | spinosyn D, also known as spinosad factor D or a 83543D, belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. spinosyn D is a very strong basic compound (based on its pKa). A spinosyn in which the sugar amino and hydroxy groups are globally methylated with an additional methyl substituent attached to the tetracyclic skeleton. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| a 83543D | ChEBI | | Spinosad factor D | ChEBI | | Spinosyn-D | MeSH |
|
|---|
| Chemical Formula | C42H67NO10 |
|---|
| Average Molecular Weight | 745.995 |
|---|
| Monoisotopic Molecular Weight | 745.476497361 |
|---|
| IUPAC Name | (2S,3aR,5aS,5bS,9S,13S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-4,14-dimethyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione |
|---|
| Traditional Name | spinosyn D |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@]1(C[C@@]2([H])C(C)=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC |
|---|
| InChI Identifier | InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1 |
|---|
| InChI Key | RDECBWLKMPEKPM-PSCJHHPTSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic oxygen compounds |
|---|
| Class | Organooxygen compounds |
|---|
| Sub Class | Carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | Aminoglycosides |
|---|
| Alternative Parents | |
|---|
| Substituents | - Aminoglycoside core
- Macrolide
- Glycosyl compound
- O-glycosyl compound
- Monosaccharide
- Oxane
- Amino acid or derivatives
- Carboxylic acid ester
- Ketone
- Lactone
- Tertiary amine
- Tertiary aliphatic amine
- Monocarboxylic acid or derivatives
- Acetal
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Organic oxide
- Amine
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organic nitrogen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aliphatic heteropolycyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
|
Not Available | | Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
