| Record Information |
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| Version | 2.0 |
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| Created at | 2023-11-29 16:00:29 UTC |
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| Updated at | 2025-02-11 15:44:14 UTC |
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| NP-MRD ID | NP0332164 |
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| Natural Product DOI | https://doi.org/10.57994/1321 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Hyperhomanoon B |
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| Description | Hyperhomanoon B belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on Hyperhomanoon B. |
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| Structure | [H][C@@]12C[C@H]3C[C@@]4(CC=C(C)C)C(=O)[C@]1([C@@H](OC2(C)C)C=C(C)C)C(=O)[C@](C(=O)C(C)C)(C4=O)C3(C)C InChI=1S/C30H42O5/c1-16(2)11-12-28-15-19-14-20-27(9,10)35-21(13-17(3)4)29(20,23(28)32)25(34)30(24(28)33,26(19,7)8)22(31)18(5)6/h11,13,18-21H,12,14-15H2,1-10H3/t19-,20-,21-,28-,29-,30-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H42O5 |
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| Average Mass | 482.6610 Da |
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| Monoisotopic Mass | 482.30322 Da |
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| IUPAC Name | (1S,2S,5R,7S,9R,11S)-4,4,8,8-tetramethyl-11-(3-methylbut-2-en-1-yl)-2-(2-methylprop-1-en-1-yl)-9-(2-methylpropanoyl)-3-oxatetracyclo[7.3.1.1^{7,11}.0^{1,5}]tetradecane-10,12,13-trione |
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| Traditional Name | (1S,2S,5R,7S,9R,11S)-4,4,8,8-tetramethyl-11-(3-methylbut-2-en-1-yl)-2-(2-methylprop-1-en-1-yl)-9-(2-methylpropanoyl)-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(CC=C(C)C)C(=O)[C@]1([C@@H](OC2(C)C)C=C(C)C)C(=O)[C@](C(=O)C(C)C)(C4=O)C3(C)C |
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| InChI Identifier | InChI=1S/C30H42O5/c1-16(2)11-12-28-15-19-14-20-27(9,10)35-21(13-17(3)4)29(20,23(28)32)25(34)30(24(28)33,26(19,7)8)22(31)18(5)6/h11,13,18-21H,12,14-15H2,1-10H3/t19-,20-,21-,28-,29-,30-/m0/s1 |
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| InChI Key | QWIGBMSUIGSDRC-AUOYLSTBSA-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) | [email protected] | huazhong university of science and technology | TaoBo | 2024-05-03 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | [email protected] | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | [email protected] | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | [email protected] | 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) | [email protected] | 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 sesquiterpenoids. These are terpenes with three consecutive 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 | Sesquiterpenoids |
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| Direct Parent | Sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Farsesane sesquiterpenoid
- Sesquiterpenoid
- Tetrahydrofuran
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- 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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