Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
|---|---|
| IUPAC Name | methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| InChIKey | BLGXFZZNTVWLAY-DIRVCLHFSA-N |
| INCHI | 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1 |
| Isomeric SMILES | COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
| Alternate CAS | 182509-57-5,131-03-3 |
| PubChem CID | 643606 |
| MeSH Entry Terms | Aphrodine Hydrochloride;Aphrodyne;Corynanthine;Corynanthine Tartrate;Hydrochloride, Aphrodine;Hydrochloride, Yohimbine;Pluriviron;Rauhimbine;Rauwolscine;Tartrate, Corynanthine;Yocon;Yohimbin Spiegel;Yohimbine;Yohimbine Houd\u00e9;Yohimbine Hydrochloride;Y |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Yohimbine alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Yohimbine alkaloids |
| Alternative Parents | Corynanthean-type alkaloids Beta carbolines 3-alkylindoles Aralkylamines Beta hydroxy acids and derivatives Benzenoids Piperidines Pyrroles Heteroaromatic compounds Methyl esters Cyclic alcohols and derivatives Trialkylamines Amino acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Yohimbine - Corynanthean skeleton - Yohimbine alkaloid - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Beta-hydroxy acid - Hydroxy acid - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Cyclic alcohol - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Secondary alcohol - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as yohimbine alkaloids. These are alkaloids containing the pentacyclic yohimban skeleton. The Yohimbinoid alkaloids contain a carbocyclic ring E arising through C-17 to C-18 bond formation in a corynantheine precursor. |
| External Descriptors | methyl 17-hydroxy-20xi-yohimban-16-carboxylate |
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| Molecular Weight | 354.400 g/mol |
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| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 354.194 Da |
| Monoisotopic Mass | 354.194 Da |
| Topological Polar Surface Area | 65.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 555.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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