| Record Information |
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| Version | 2.0 |
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| Created at | 2024-07-05 05:55:30 UTC |
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| Updated at | 2026-02-15 16:11:00 UTC |
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| NP-MRD ID | NP0333561 |
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| Natural Product DOI | https://doi.org/10.57994/3030 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Talarine J |
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| Description | Talarine J belongs to the class of organic compounds known as retinoid esters. These are ester derivatives of retinoic acid. These are obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid. Talarine J was first documented in 2024 (PMID: 39126395). Based on a literature review very few articles have been published on Talarine J. |
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| Structure | [H][C@@]12CC[C@@]3(C)OC4=C(C[C@]3(O)[C@@]1(C)CCC(=O)C2(C)C)C1=C(C(O)=C4Cl)C(=O)O[C@H](C)C1 InChI=1S/C25H31ClO6/c1-12-10-13-14-11-25(30)23(4)8-7-16(27)22(2,3)15(23)6-9-24(25,5)32-20(14)18(26)19(28)17(13)21(29)31-12/h12,15,28,30H,6-11H2,1-5H3/t12-,15+,23+,24-,25+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C25H31ClO6 |
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| Average Mass | 462.9700 Da |
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| Monoisotopic Mass | 462.18092 Da |
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| IUPAC Name | (1S,6R,14R,17R,22S)-11-chloro-1,10-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-3(12),4(9),10-triene-8,19-dione |
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| Traditional Name | (1S,6R,14R,17R,22S)-11-chloro-1,10-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{17,22}]docosa-3(12),4(9),10-triene-8,19-dione |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12CC[C@@]3(C)OC4=C(C[C@]3(O)[C@@]1(C)CCC(=O)C2(C)C)C1=C(C(O)=C4Cl)C(=O)O[C@H](C)C1 |
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| InChI Identifier | InChI=1S/C25H31ClO6/c1-12-10-13-14-11-25(30)23(4)8-7-16(27)22(2,3)15(23)6-9-24(25,5)32-20(14)18(26)19(28)17(13)21(29)31-12/h12,15,28,30H,6-11H2,1-5H3/t12-,15+,23+,24-,25+/m1/s1 |
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| InChI Key | WPRCMHYDUKEVPQ-VEJXKNLISA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | [email protected] | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 600.0, Dimethylsulfoxide-d6, simulated) | [email protected] | Not Available | Not Available | 2026-02-15 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 150.0, Dimethylsulfoxide-d6, simulated) | [email protected] | Not Available | Not Available | 2026-02-15 | View Spectrum |
| | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as retinoid esters. These are ester derivatives of retinoic acid. These are obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Retinoids |
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| Direct Parent | Retinoid esters |
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| Alternative Parents | |
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| Substituents | - Retinoid ester
- Diterpenoid
- Diterpene lactone
- Isoflavanol
- Isoflavonoid
- Xanthene
- Naphthopyran
- Dibenzopyran
- 2-benzopyran
- 1-benzopyran
- Naphthalene
- Isochromane
- Benzopyran
- Chromane
- Fatty acid ester
- Dihydropyranone
- Alkyl aryl ether
- Fatty acyl
- Benzenoid
- Pyran
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tertiary alcohol
- Cyclic alcohol
- Cyclic ketone
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Chloroalkene
- Haloalkene
- Organoheterocyclic compound
- Vinyl halide
- Vinyl chloride
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organochloride
- Organohalogen compound
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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