Record Information |
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Version | 2.0 |
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Created at | 2023-01-30 20:01:13 UTC |
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Updated at | 2024-09-03 04:15:52 UTC |
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NP-MRD ID | NP0331479 |
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Natural Product DOI | https://doi.org/10.57994/0433 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Epi-miniolutelide C |
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Description | Epi-miniolutelide C belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Epi-miniolutelide C was first documented in 2023 (PMID: 36526742). Based on a literature review very few articles have been published on Epi-miniolutelide C. |
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Structure | [H][C@@]12CC3=C(CC(=O)OC3(C)C)C(C)=C3C[C@@]4(C)C(=O)O[C@@]5([H])O[C@@H](C)[C@@](O)(O1)[C@](C(=O)OC)([C@@]45[H])[C@@]23C InChI=1S/C26H32O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h12,16,18-19,30H,8-10H2,1-7H3/t12-,16-,18+,19+,23+,24+,25-,26+/m0/s1 |
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Synonyms | Value | Source |
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Methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0,.0,.0,.0,]docosa-1,3(8)-diene-20-carboxylic acid | Generator |
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Chemical Formula | C26H32O9 |
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Average Mass | 488.5330 Da |
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Monoisotopic Mass | 488.20463 Da |
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IUPAC Name | methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0^{3,8}.0^{10,21}.0^{12,20}.0^{15,19}]docosa-1,3(8)-diene-20-carboxylate |
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Traditional Name | methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0^{3,8}.0^{10,21}.0^{12,20}.0^{15,19}]docosa-1,3(8)-diene-20-carboxylate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12CC3=C(CC(=O)OC3(C)C)C(C)=C3C[C@@]4(C)C(=O)O[C@@]5([H])O[C@@H](C)[C@@](O)(O1)[C@](C(=O)OC)([C@@]45[H])[C@@]23C |
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InChI Identifier | InChI=1S/C26H32O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h12,16,18-19,30H,8-10H2,1-7H3/t12-,16-,18+,19+,23+,24+,25-,26+/m0/s1 |
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InChI Key | VKBVOVVIAJLSTD-LWCIQJLPSA-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) | hyeriku@gmail.com | Not Available | Not Available | 2024-05-11 | 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 | Species Name | Source | Reference |
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sp. SSW03M2 GY | | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
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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 | Terpene lactones |
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Direct Parent | Diterpene lactones |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Diterpene lactone
- Fatty alcohol ester
- Tricarboxylic acid or derivatives
- Furopyran
- Fatty acid ester
- Dihydropyranone
- Fatty acyl
- Pyran
- Oxane
- Hemiketal
- Gamma butyrolactone
- Methyl ester
- Tetrahydrofuran
- Furan
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- 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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