Record Information |
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Version | 1.0 |
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Created at | 2022-09-08 07:16:48 UTC |
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Updated at | 2022-09-08 07:16:49 UTC |
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NP-MRD ID | NP0263931 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3s,22s)-10,11,15,16-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1¹⁴,¹⁸.1²⁴,²⁸.0³,⁸.0⁷,¹².0²²,³⁶]hexatriaconta-1(32),7,9,11,14,16,18(36),24,26,28(35),30,33-dodecaen-27-ol |
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Description | (3s,22s)-10,11,15,16-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1¹⁴,¹⁸.1²⁴,²⁸.0³,⁸.0⁷,¹².0²²,³⁶]hexatriaconta-1(32),7,9,11,14,16,18(36),24,26,28(35),30,33-dodecaen-27-ol is found in Thalictrum flavum. |
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Structure | COC1=CC2=C3[C@H](CC4=CC=C(O)C(OC5=CC=C(C[C@@H]6N(C)CCC7=C6C=C(OC)C(OC)=C7OC3=C1OC)C=C5)=C4)NCC2 InChI=1S/C37H40N2O7/c1-39-15-13-25-26-20-32(42-3)35(43-4)34(25)46-37-33-23(19-31(41-2)36(37)44-5)12-14-38-27(33)16-22-8-11-29(40)30(18-22)45-24-9-6-21(7-10-24)17-28(26)39/h6-11,18-20,27-28,38,40H,12-17H2,1-5H3/t27-,28-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C37H40N2O7 |
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Average Mass | 624.7340 Da |
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Monoisotopic Mass | 624.28355 Da |
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IUPAC Name | (3S,22S)-10,11,15,16-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1^{14,18}.1^{24,28}.0^{3,8}.0^{7,12}.0^{22,36}]hexatriaconta-1(32),7,9,11,14,16,18(36),24,26,28(35),30,33-dodecaen-27-ol |
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Traditional Name | (3S,22S)-10,11,15,16-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.1^{14,18}.1^{24,28}.0^{3,8}.0^{7,12}.0^{22,36}]hexatriaconta-1(32),7,9,11,14,16,18(36),24,26,28(35),30,33-dodecaen-27-ol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC2=C3[C@H](CC4=CC=C(O)C(OC5=CC=C(C[C@@H]6N(C)CCC7=C6C=C(OC)C(OC)=C7OC3=C1OC)C=C5)=C4)NCC2 |
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InChI Identifier | InChI=1S/C37H40N2O7/c1-39-15-13-25-26-20-32(42-3)35(43-4)34(25)46-37-33-23(19-31(41-2)36(37)44-5)12-14-38-27(33)16-22-8-11-29(40)30(18-22)45-24-9-6-21(7-10-24)17-28(26)39/h6-11,18-20,27-28,38,40H,12-17H2,1-5H3/t27-,28-/m0/s1 |
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InChI Key | UUNKEDXSVBOYIU-NSOVKSMOSA-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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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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