Record Information |
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Version | 2.0 |
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Created at | 2024-01-29 04:00:27 UTC |
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Updated at | 2024-09-03 04:19:15 UTC |
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NP-MRD ID | NP0332443 |
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Natural Product DOI | https://doi.org/10.57994/1683 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Tinotufolin G |
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Description | Tinotufolin G 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. Based on a literature review very few articles have been published on Tinotufolin G. |
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Structure | [H][C@@]12CC[C@H](OC(C)=O)[C@](O)(C(=O)OC)[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=COC=C1 InChI=1S/C23H34O6/c1-15-8-12-22(4)18(21(15,3)11-9-17-10-13-28-14-17)6-7-19(29-16(2)24)23(22,26)20(25)27-5/h10,13-15,18-19,26H,6-9,11-12H2,1-5H3/t15-,18-,19-,21+,22+,23-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H34O6 |
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Average Mass | 406.5190 Da |
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Monoisotopic Mass | 406.23554 Da |
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IUPAC Name | methyl (1S,2S,4aS,5R,6S,8aR)-2-(acetyloxy)-5-[2-(furan-3-yl)ethyl]-1-hydroxy-5,6,8a-trimethyl-decahydronaphthalene-1-carboxylate |
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Traditional Name | methyl (1S,2S,4aS,5R,6S,8aR)-2-(acetyloxy)-5-[2-(furan-3-yl)ethyl]-1-hydroxy-5,6,8a-trimethyl-hexahydro-2H-naphthalene-1-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12CC[C@H](OC(C)=O)[C@](O)(C(=O)OC)[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=COC=C1 |
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InChI Identifier | InChI=1S/C23H34O6/c1-15-8-12-22(4)18(21(15,3)11-9-17-10-13-28-14-17)6-7-19(29-16(2)24)23(22,26)20(25)27-5/h10,13-15,18-19,26H,6-9,11-12H2,1-5H3/t15-,18-,19-,21+,22+,23-/m0/s1 |
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InChI Key | SNQVNESPFCHGCL-YKLZSQIRSA-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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HMBC NMR | [Proton, Carbon13] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum | 1D NMR | Carbon13 NMR Spectrum (1D, 126 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum | COSY NMR | [Proton, Proton] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum | 1D NMR | Carbon13 NMR Spectrum (1D, 126 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum | HMQC NMR | [Proton, Carbon13] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum | NOESY NMR | [Proton, Proton] NMR Spectrum (2D, 500 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum | 1D NMR | Proton NMR Spectrum (1D, 500 MHz, CDCL3, experimental) | nisidono@fc.ritsumei.ac.jp | Not Available | Not Available | 2024-01-29 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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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
- Fatty acid ester
- Fatty acyl
- Monosaccharide
- Dicarboxylic acid or derivatives
- Heteroaromatic compound
- Methyl ester
- Tertiary alcohol
- Furan
- Cyclic alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen 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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