| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-01 22:58:23 UTC |
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| Updated at | 2022-09-01 22:58:23 UTC |
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| NP-MRD ID | NP0144091 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (6s,8s,13s,14r,15s,16r,17r,18r,23r)-16-hydroxy-8,13,17,21-tetramethyl-25,26-dioxa-4-azaspiro[heptacyclo[14.7.2.1⁶,¹⁰.0¹,¹⁵.0³,¹³.0⁴,¹⁰.0¹⁸,²³]hexacosane-14,3'-oxolane]-2,20-diene-5',19-dione |
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| Description | 97877-69-5 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. Based on a literature review very few articles have been published on 97877-69-5. |
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| Structure | C[C@H]1C[C@H]2CN3C4=CC56CO[C@@](O)([C@@H]5[C@@]5(COC(=O)C5)[C@]4(C)CCC3(C1)O2)[C@H](C)[C@H]1[C@H]6CC(C)=CC1=O InChI=1S/C30H39NO6/c1-16-8-20-24(21(32)9-16)18(3)30(34)25-27(20,14-36-30)11-22-26(4,28(25)12-23(33)35-15-28)5-6-29-10-17(2)7-19(37-29)13-31(22)29/h9,11,17-20,24-25,34H,5-8,10,12-15H2,1-4H3/t17-,18+,19-,20+,24-,25-,26+,27?,28+,29?,30+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H39NO6 |
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| Average Mass | 509.6430 Da |
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| Monoisotopic Mass | 509.27774 Da |
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| IUPAC Name | (6S,8S,13S,14R,15S,16R,17R,18R,23R)-16-hydroxy-8,13,17,21-tetramethyl-25,26-dioxa-4-azaspiro[heptacyclo[14.7.2.1^{6,10}.0^{1,15}.0^{3,13}.0^{4,10}.0^{18,23}]hexacosane-14,3'-oxolane]-2,20-diene-5',19-dione |
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| Traditional Name | (6S,8S,13S,14R,15S,16R,17R,18R,23R)-16-hydroxy-8,13,17,21-tetramethyl-25,26-dioxa-4-azaspiro[heptacyclo[14.7.2.1^{6,10}.0^{1,15}.0^{3,13}.0^{4,10}.0^{18,23}]hexacosane-14,3'-oxolane]-2,20-diene-5',19-dione |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1C[C@H]2CN3C4=CC56CO[C@@](O)([C@@H]5[C@@]5(COC(=O)C5)[C@]4(C)CCC3(C1)O2)[C@H](C)[C@H]1[C@H]6CC(C)=CC1=O |
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| InChI Identifier | InChI=1S/C30H39NO6/c1-16-8-20-24(21(32)9-16)18(3)30(34)25-27(20,14-36-30)11-22-26(4,28(25)12-23(33)35-15-28)5-6-29-10-17(2)7-19(37-29)13-31(22)29/h9,11,17-20,24-25,34H,5-8,10,12-15H2,1-4H3/t17-,18+,19-,20+,24-,25-,26+,27?,28+,29?,30+/m0/s1 |
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| InChI Key | ACDRDEOVULSAPQ-NUMHYOOVSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | Not Available |
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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
- Cyclohexenone
- Oxepane
- Azepane
- Piperidine
- Oxane
- Gamma butyrolactone
- Tetrahydrofuran
- Oxazolidine
- Cyclic alcohol
- Lactone
- Ketone
- Hemiacetal
- Carboxylic acid ester
- Oxacycle
- Azacycle
- Monocarboxylic acid or derivatives
- Enamine
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen 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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