for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCC12C=CCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)COC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
|---|---|
| IUPAC Name | [(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13,16-hexaen-17-yl]methyl 3,4,5-trimethoxybenzoate |
| InChIKey | YBXKKOCGWBHEBM-DGPALRBDSA-N |
| INCHI | 1S/C30H32N2O5/c1-5-30-12-8-13-31-14-11-22-21-9-6-7-10-23(21)32(26(22)28(30)31)20(17-30)18-37-29(33)19-15-24(34-2)27(36-4)25(16-19)35-3/h6-10,12,15-17,28H,5,11,13-14,18H2,1-4H3/t28-,30+/m1/s1 |
| Isomeric SMILES | CC[C@@]12C=CCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)COC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| PubChem CID | 3086161 |
| Molecular Weight | 509.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Eburnan-type alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Eburnan-type alkaloids |
| Alternative Parents | Indolonaphthyridine alkaloids Beta carbolines Gallic acid and derivatives P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives 3-alkylindoles Naphthyridines Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Aralkylamines Pyrroles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Eburna alkaloid - Indolo[3,2-1de][1,5]naphthyridine - Beta-carboline - Pyridoindole - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Naphthyridine - 3-alkylindole - Benzoate ester - Indole - Indole or derivatives - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as eburnan-type alkaloids. These are alkaloids with a structure based on the eburnan skeleton, that arises from rearrangement of the aspidospermidine ring system, involving migration of C-21 from C-7 to C-2, fission of the 2,16-bond, and attachment of C-16 to N-1. |
| External Descriptors | Not available |
| Molecular Weight | 500.600 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 500.231 Da |
| Monoisotopic Mass | 500.231 Da |
| Topological Polar Surface Area | 62.200 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 908.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
