| Record Information |
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| Version | 2.0 |
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| Created at | 2024-08-01 00:32:41 UTC |
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| Updated at | 2025-12-21 18:41:04 UTC |
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| NP-MRD ID | NP0333686 |
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| Natural Product DOI | https://doi.org/10.57994/3165 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | goondomycin E |
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| Description | Goondomycin E 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 goondomycin E. |
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| Structure | C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(O)=C(O)C([C@H](O2)[C@H](C)[C@H]1O)=C4C3=O InChI=1S/C29H42O7/c1-13-8-9-20-17(5)23(30)18(6)26(35-20)21-22-27(19(7)24(31)25(21)32)36-29(34,28(22)33)16(4)12-15(3)11-14(2)10-13/h10,13,15-18,20,23,26,30-32,34H,8-9,11-12H2,1-7H3/b14-10+/t13-,15+,16-,17-,18+,20+,23-,26+,29-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C29H42O7 |
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| Average Mass | 502.6480 Da |
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| Monoisotopic Mass | 502.29305 Da |
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| IUPAC Name | (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,4,9,21-tetrahydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1^{6,9}.0^{2,7}]tetracosa-2(7),3,5,14-tetraen-8-one |
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| Traditional Name | (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,4,9,21-tetrahydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1^{6,9}.0^{2,7}]tetracosa-2(7),3,5,14-tetraen-8-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1[C@H]2CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(O)=C(O)C([C@H](O2)[C@H](C)[C@H]1O)=C4C3=O |
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| InChI Identifier | InChI=1S/C29H42O7/c1-13-8-9-20-17(5)23(30)18(6)26(35-20)21-22-27(19(7)24(31)25(21)32)36-29(34,28(22)33)16(4)12-15(3)11-14(2)10-13/h10,13,15-18,20,23,26,30-32,34H,8-9,11-12H2,1-7H3/b14-10+/t13-,15+,16-,17-,18+,20+,23-,26+,29-/m0/s1 |
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| InChI Key | DERAKDZAXIVGHY-BWCAEZTKSA-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 | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | jianying.han@uq.edu.au | The University of Queensland | Jianying Han | 2024-08-01 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | jianying.han@uq.edu.au | The University of Queensland | Jianying Han | 2024-08-01 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | jianying.han@uq.edu.au | The University of Queensland | Jianying Han | 2024-08-01 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | jianying.han@uq.edu.au | The University of Queensland | Jianying Han | 2024-08-01 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | jianying.han@uq.edu.au | The University of Queensland | Jianying Han | 2024-08-01 | View Spectrum | | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | jianying.han@uq.edu.au | The University of Queensland | Jianying Han | 2024-08-01 | 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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| 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 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
- Coumaran
- Benzofuran
- Aryl alkyl ketone
- Aryl ketone
- Alpha-branched alpha,beta-unsaturated-ketone
- Benzenoid
- Oxane
- Hemiketal
- 3-furanone
- Acyloin
- Alpha,beta-unsaturated ketone
- Tetrahydrofuran
- Enone
- Alpha-hydroxy ketone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- 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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