| Record Information |
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| Version | 2.0 |
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| Created at | 2023-11-29 16:03:51 UTC |
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| Updated at | 2025-02-11 15:44:14 UTC |
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| NP-MRD ID | NP0332165 |
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| Natural Product DOI | https://doi.org/10.57994/1322 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Hyperhomanoon C |
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| Description | Hyperhomanoon C belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on Hyperhomanoon C. |
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| Structure | [H][C@]12C[C@H]3C[C@@]4(C\C=C(/C)CCC=C(C)C)C(=O)[C@]1([C@@H](CC(C)=O)OC2(C)C)C(=O)[C@](C(=O)C1=CC=CC=C1)(C4=O)C3(C)C InChI=1S/C37H46O6/c1-22(2)13-12-14-23(3)17-18-35-21-26-20-27-34(7,8)43-28(19-24(4)38)36(27,30(35)40)32(42)37(31(35)41,33(26,5)6)29(39)25-15-10-9-11-16-25/h9-11,13,15-17,26-28H,12,14,18-21H2,1-8H3/b23-17+/t26-,27+,28+,35-,36-,37-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C37H46O6 |
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| Average Mass | 586.7690 Da |
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| Monoisotopic Mass | 586.32944 Da |
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| IUPAC Name | (1S,2R,5S,7S,9R,11S)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,4,8,8-tetramethyl-2-(2-oxopropyl)-3-oxatetracyclo[7.3.1.1^{7,11}.0^{1,5}]tetradecane-10,12,13-trione |
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| Traditional Name | (1S,2R,5S,7S,9R,11S)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,4,8,8-tetramethyl-2-(2-oxopropyl)-3-oxatetracyclo[7.3.1.1^{7,11}.0^{1,5}]tetradecane-10,12,13-trione |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12C[C@H]3C[C@@]4(C\C=C(/C)CCC=C(C)C)C(=O)[C@]1([C@@H](CC(C)=O)OC2(C)C)C(=O)[C@](C(=O)C1=CC=CC=C1)(C4=O)C3(C)C |
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| InChI Identifier | InChI=1S/C37H46O6/c1-22(2)13-12-14-23(3)17-18-35-21-26-20-27-34(7,8)43-28(19-24(4)38)36(27,30(35)40)32(42)37(31(35)41,33(26,5)6)29(39)25-15-10-9-11-16-25/h9-11,13,15-17,26-28H,12,14,18-21H2,1-8H3/b23-17+/t26-,27+,28+,35-,36-,37-/m0/s1 |
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| InChI Key | BPVLYHZZTHFQLF-BVNBOVPTSA-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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| 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2024-05-03 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | 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, 400.132470967, CDCl3, simulated) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2024-05-03 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Hypericum wilsonii | | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
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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 | Diterpenoids |
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| Alternative Parents | |
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| Substituents | - Diterpenoid
- Alkyl-phenylketone
- Phenylketone
- Aryl alkyl ketone
- Aryl ketone
- Benzoyl
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Monocyclic benzene moiety
- Alpha,beta-unsaturated ketone
- Tetrahydrofuran
- Enone
- Acryloyl-group
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- 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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