Record Information |
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Version | 1.0 |
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Created at | 2022-09-10 12:15:34 UTC |
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Updated at | 2022-09-10 12:15:34 UTC |
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NP-MRD ID | NP0300065 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-(1-{5-[2-(dimethylamino)pentyl]oxolan-2-yl}ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione |
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Description | 5-(1-{5-[2-(Dimethylamino)pentyl]oxolan-2-yl}ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]Icosane-3,12-dione belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 5-(1-{5-[2-(dimethylamino)pentyl]oxolan-2-yl}ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione is found in Streptomyces alboniger. 5-(1-{5-[2-(Dimethylamino)pentyl]oxolan-2-yl}ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]Icosane-3,12-dione is a very strong basic compound (based on its pKa). |
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Structure | CCCC(CC1CCC(O1)C(C)C1OC(=O)C(C)C2CCC(O2)C(C)C(CCC)OC(=O)C(C)C2CCC(O2)C1C)N(C)C InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3 |
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Synonyms | Not Available |
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Chemical Formula | C36H63NO7 |
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Average Mass | 621.9000 Da |
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Monoisotopic Mass | 621.46045 Da |
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IUPAC Name | 5-(1-{5-[2-(dimethylamino)pentyl]oxolan-2-yl}ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione |
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Traditional Name | 5-(1-{5-[2-(dimethylamino)pentyl]oxolan-2-yl}ethyl)-2,6,11,15-tetramethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1⁷,¹⁰]icosane-3,12-dione |
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CAS Registry Number | Not Available |
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SMILES | CCCC(CC1CCC(O1)C(C)C1OC(=O)C(C)C2CCC(O2)C(C)C(CCC)OC(=O)C(C)C2CCC(O2)C1C)N(C)C |
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InChI Identifier | InChI=1S/C36H63NO7/c1-10-12-26(37(8)9)20-27-14-15-30(40-27)22(4)34-23(5)31-17-19-32(42-31)24(6)35(38)43-28(13-11-2)21(3)29-16-18-33(41-29)25(7)36(39)44-34/h21-34H,10-20H2,1-9H3 |
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InChI Key | MMFMMXXZYTWNGM-UHFFFAOYSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Macrolides and analogues |
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Sub Class | Not Available |
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Direct Parent | Macrolides and analogues |
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Alternative Parents | |
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Substituents | - Macrolide
- Dicarboxylic acid or derivatives
- Oxolane
- Amino acid or derivatives
- Carboxylic acid ester
- Lactone
- Tertiary aliphatic amine
- Tertiary amine
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Oxacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organic oxide
- Amine
- Organic oxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organonitrogen compound
- 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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