Record Information |
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Version | 2.0 |
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Created at | 2024-03-15 15:45:31 UTC |
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Updated at | 2024-11-01 01:38:33 UTC |
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NP-MRD ID | NP0332652 |
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Natural Product DOI | https://doi.org/10.57994/1912 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hygrocin W |
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Description | Based on a literature review very few articles have been published on Hygrocin W. |
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Structure | [H][C@@]12O[C@@]3(CC(=O)[C@@H]1C)CC[C@@H](CC)\C=C\[C@H](O)[C@H](C)OC(=O)\C(C)=C/CC(=O)NC1=CC(O)=CC2=C1O3 InChI=1S/C28H35NO8/c1-5-18-7-8-22(31)17(4)35-27(34)15(2)6-9-24(33)29-21-13-19(30)12-20-25-16(3)23(32)14-28(36-25,11-10-18)37-26(20)21/h6-8,12-13,16-18,22,25,30-31H,5,9-11,14H2,1-4H3,(H,29,33)/b8-7+,15-6-/t16-,17-,18?,22-,25+,28-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H35NO8 |
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Average Mass | 513.5870 Da |
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Monoisotopic Mass | 513.23627 Da |
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IUPAC Name | (1S,4R,5E,7S,8S,11Z,21R,22R)-4-ethyl-7,18-dihydroxy-8,11,22-trimethyl-9,25,27-trioxa-15-azatetracyclo[14.8.2.1^{1,21}.0^{20,26}]heptacosa-5,11,16,18,20(26)-pentaene-10,14,23-trione |
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Traditional Name | (1S,4R,5E,7S,8S,11Z,21R,22R)-4-ethyl-7,18-dihydroxy-8,11,22-trimethyl-9,25,27-trioxa-15-azatetracyclo[14.8.2.1^{1,21}.0^{20,26}]heptacosa-5,11,16,18,20(26)-pentaene-10,14,23-trione |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12O[C@@]3(CC(=O)[C@@H]1C)CC[C@@H](CC)\C=C\[C@H](O)[C@H](C)OC(=O)\C(C)=C/CC(=O)NC1=CC(O)=CC2=C1O3 |
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InChI Identifier | InChI=1S/C28H35NO8/c1-5-18-7-8-22(31)17(4)35-27(34)15(2)6-9-24(33)29-21-13-19(30)12-20-25-16(3)23(32)14-28(36-25,11-10-18)37-26(20)21/h6-8,12-13,16-18,22,25,30-31H,5,9-11,14H2,1-4H3,(H,29,33)/b8-7+,15-6-/t16-,17-,18?,22-,25+,28-/m0/s1 |
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InChI Key | DTGMEEIKONMATB-PVVILNLESA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental) | mmahm@dtu.dk | Technical university of Denmark | Manar | 2024-03-20 | View Spectrum | 1D_ NMR | 13C NMR Spectrum (1D, 201 MHz, CD3OD, experimental) | mmahm@dtu.dk | Technical university of Denmark | Manar | 2024-03-20 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, CD2Cl2, experimental) | mmahm@dtu.dk | Technical university of Denmark | Manar | 2024-03-20 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental) | mmahm@dtu.dk | Technical university of Denmark | Manar | 2024-03-20 | View Spectrum | 1D_ NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, experimental) | mmahm@dtu.dk | Technical university of Denmark | Manar | 2024-03-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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rapamycinicus | | |
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Chemical Taxonomy |
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Classification | Not classified |
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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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