| Record Information |
|---|
| Version | 2.0 |
|---|
| Created at | 2024-07-05 05:01:10 UTC |
|---|
| Updated at | 2025-12-20 07:41:06 UTC |
|---|
| NP-MRD ID | NP0333554 |
|---|
| Natural Product DOI | https://doi.org/10.57994/3023 |
|---|
| Secondary Accession Numbers | None |
|---|
| Natural Product Identification |
|---|
| Common Name | Talarine C |
|---|
| Description | Talarine C belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Based on a literature review very few articles have been published on Talarine C. |
|---|
| Structure | CC(C)[C@]12CC[C@@]3(C)[C@H](CC[C@@]4(C)OC5=C(C[C@]34O1)C1=C(C(=O)O[C@H](C)[C@@H]1OC(C)=O)C(O)=C5)O2 InChI=1S/C27H34O8/c1-13(2)26-10-9-24(5)19(34-26)7-8-25(6)27(24,35-26)12-16-18(33-25)11-17(29)21-20(16)22(32-15(4)28)14(3)31-23(21)30/h11,13-14,19,22,29H,7-10,12H2,1-6H3/t14-,19+,22+,24+,25-,26+,27+/m1/s1 |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C27H34O8 |
|---|
| Average Mass | 486.5610 Da |
|---|
| Monoisotopic Mass | 486.22537 Da |
|---|
| IUPAC Name | (1S,5R,6R,14R,17S,19S,22S)-10-hydroxy-6,14,22-trimethyl-8-oxo-19-(propan-2-yl)-7,13,18,23-tetraoxahexacyclo[17.3.1.0^{1,14}.0^{3,12}.0^{4,9}.0^{17,22}]tricosa-3(12),4(9),10-trien-5-yl acetate |
|---|
| Traditional Name | (1S,5R,6R,14R,17S,19S,22S)-10-hydroxy-19-isopropyl-6,14,22-trimethyl-8-oxo-7,13,18,23-tetraoxahexacyclo[17.3.1.0^{1,14}.0^{3,12}.0^{4,9}.0^{17,22}]tricosa-3(12),4(9),10-trien-5-yl acetate |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CC(C)[C@]12CC[C@@]3(C)[C@H](CC[C@@]4(C)OC5=C(C[C@]34O1)C1=C(C(=O)O[C@H](C)[C@@H]1OC(C)=O)C(O)=C5)O2 |
|---|
| InChI Identifier | InChI=1S/C27H34O8/c1-13(2)26-10-9-24(5)19(34-26)7-8-25(6)27(24,35-26)12-16-18(33-25)11-17(29)21-20(16)22(32-15(4)28)14(3)31-23(21)30/h11,13-14,19,22,29H,7-10,12H2,1-6H3/t14-,19+,22+,24+,25-,26+,27+/m1/s1 |
|---|
| InChI Key | GVGJEVWMZNUQLE-BUAFFRTESA-N |
|---|
| Experimental Spectra |
|---|
|
| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
|---|
| HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | zhangjun49@126.com | Hebei University | Jun Zhang | 2024-07-05 | View Spectrum |
| | Predicted Spectra |
|---|
|
| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
|---|
| | Chemical Shift Submissions |
|---|
|
| Not Available | | Species |
|---|
| Species of Origin | |
|---|
| Chemical Taxonomy |
|---|
| Description | This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Prenol lipids |
|---|
| Sub Class | Terpene lactones |
|---|
| Direct Parent | Diterpene lactones |
|---|
| Alternative Parents | |
|---|
| Substituents | - Diterpenoid
- Diterpene lactone
- Xanthene
- Dibenzopyran
- Fatty alcohol ester
- 2-benzopyran
- 1-benzopyran
- Isochromane
- Benzopyran
- Chromane
- 1-hydroxy-2-unsubstituted benzenoid
- Ketal
- Fatty acid ester
- Dihydropyranone
- Alkyl aryl ether
- Fatty acyl
- Benzenoid
- Pyran
- Oxane
- Dicarboxylic acid or derivatives
- Meta-dioxane
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | 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 | |
|---|