| Record Information |
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| Version | 2.0 |
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| Created at | 2024-05-12 05:36:39 UTC |
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| Updated at | 2026-02-20 19:14:24 UTC |
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| NP-MRD ID | NP0333184 |
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| Natural Product DOI | https://doi.org/10.57994/2509 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Corymbotin D |
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| Description | Corymbotin D belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. Corymbotin D was first documented in 2022 (PMID: 35475609). Based on a literature review very few articles have been published on Corymbotin D. |
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| Structure | C[C@@H]1C[C@H](O)[C@@]23[C@H](OC(C)=O)O[C@H](OC(C)=O)C2=C[C@H](C[C@H]3[C@]1(C)C\C=C(/C)C=C)OC(C)=O InChI=1S/C26H36O8/c1-8-14(2)9-10-25(7)15(3)11-22(30)26-20(12-19(13-21(25)26)31-16(4)27)23(32-17(5)28)34-24(26)33-18(6)29/h8-9,12,15,19,21-24,30H,1,10-11,13H2,2-7H3/b14-9+/t15-,19-,21+,22+,23+,24-,25-,26-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H36O8 |
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| Average Mass | 476.5660 Da |
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| Monoisotopic Mass | 476.24102 Da |
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| IUPAC Name | (1S,3R,5S,6aS,7R,8R,10S,10aS)-3,5-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-1-yl acetate |
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| Traditional Name | (1S,3R,5S,6aS,7R,8R,10S,10aS)-3,5-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dien-1-yl]-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-1-yl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1C[C@H](O)[C@@]23[C@H](OC(C)=O)O[C@H](OC(C)=O)C2=C[C@H](C[C@H]3[C@]1(C)C\C=C(/C)C=C)OC(C)=O |
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| InChI Identifier | InChI=1S/C26H36O8/c1-8-14(2)9-10-25(7)15(3)11-22(30)26-20(12-19(13-21(25)26)31-16(4)27)23(32-17(5)28)34-24(26)33-18(6)29/h8-9,12,15,19,21-24,30H,1,10-11,13H2,2-7H3/b14-9+/t15-,19-,21+,22+,23+,24-,25-,26-/m1/s1 |
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| InChI Key | WJNZZTDLRUZPHL-SKBJODTMSA-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, 500 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2024-05-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2024-05-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2024-05-12 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | [email protected] | Not Available | Not Available | 2024-05-12 | 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, 500.13, Chloroform-d, simulated) | [email protected] | Not Available | Not Available | 2026-02-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 125.77, Chloroform-d, simulated) | [email protected] | Not Available | Not Available | 2026-02-20 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Casearia corymbosa | | | | Casearia corymbosa | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations. |
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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 | Diterpenoids |
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| Direct Parent | Colensane and clerodane diterpenoids |
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| Alternative Parents | |
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| Substituents | - Clerodane diterpenoid
- Fatty alcohol ester
- Tricarboxylic acid or derivatives
- Tetrahydrofuran
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic 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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