| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 15:49:36 UTC |
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| Updated at | 2022-04-28 15:49:36 UTC |
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| NP-MRD ID | NP0070427 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Serratezomine A |
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| Description | Serratezomine A belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. Serratezomine A is found in Lycopodium serratum var. longipetiolatum. Serratezomine A was first documented in 2002 (PMID: 12126432). Based on a literature review a small amount of articles have been published on Serratezomine A (PMID: 25082077) (PMID: 19236097) (PMID: 23273261). |
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| Structure | C[C@H]1C[C@@H]2OC(=O)C[C@H]([C@H]1O)[C@]21CCCN2CCC[C@H]12 InChI=1S/C16H25NO3/c1-10-8-13-16(11(15(10)19)9-14(18)20-13)5-3-7-17-6-2-4-12(16)17/h10-13,15,19H,2-9H2,1H3/t10-,11+,12+,13-,15-,16-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C16H25NO3 |
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| Average Mass | 279.3800 Da |
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| Monoisotopic Mass | 279.18344 Da |
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| IUPAC Name | (1S,5S,6S,7S,8'aR,9S)-6-hydroxy-7-methyl-hexahydro-1'H-2-oxaspiro[bicyclo[3.3.1]nonane-9,8'-indolizine]-3-one |
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| Traditional Name | (1S,5S,6S,7S,8'aR,9S)-6-hydroxy-7-methyl-hexahydro-1'H-2-oxaspiro[bicyclo[3.3.1]nonane-9,8'-indolizine]-3-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1C[C@@H]2OC(=O)C[C@H]([C@H]1O)[C@]21CCCN2CCC[C@H]12 |
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| InChI Identifier | InChI=1S/C16H25NO3/c1-10-8-13-16(11(15(10)19)9-14(18)20-13)5-3-7-17-6-2-4-12(16)17/h10-13,15,19H,2-9H2,1H3/t10-,11+,12+,13-,15-,16-/m0/s1 |
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| InChI Key | MDOMALSPTAGWJD-OUCVOORDSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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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| Lycopodium serratum var. longipetiolatum | Plant | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azaspirodecane derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Azaspirodecane derivatives |
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| Alternative Parents | |
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| Substituents | - Azaspirodecane
- Indolizidine
- Delta valerolactone
- Delta_valerolactone
- Oxane
- Piperidine
- N-alkylpyrrolidine
- Cyclic alcohol
- Pyrrolidine
- Amino acid or derivatives
- Carboxylic acid ester
- Lactone
- Tertiary aliphatic amine
- Secondary alcohol
- Tertiary amine
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Oxacycle
- Azacycle
- Organonitrogen compound
- Amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Alcohol
- Organic nitrogen compound
- Carbonyl group
- 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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