Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 00:10:23 UTC |
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Updated at | 2022-09-12 00:10:24 UTC |
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NP-MRD ID | NP0321783 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (9s,27r)-4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.1³,⁷.1⁹,¹³.1¹⁹,²³.0¹⁷,³⁵.0²⁷,³⁴]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol |
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Description | (9s,27r)-4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.1³,⁷.1⁹,¹³.1¹⁹,²³.0¹⁷,³⁵.0²⁷,³⁴]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol is found in Thalictrum fendleri. |
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Structure | COC1=CC2=C3[C@@H](CC4=CC=C(OC5=CC(C[C@@H]6N(C)CCC7=C6C(OC3=C1)=C(OC)C(OC)=C7O)=CC=C5OC)C=C4)N(C)CC2 InChI=1S/C38H42N2O7/c1-39-15-13-24-20-26(42-3)21-32-33(24)28(39)17-22-7-10-25(11-8-22)46-31-19-23(9-12-30(31)43-4)18-29-34-27(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-32/h7-12,19-21,28-29,41H,13-18H2,1-6H3/t28-,29+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C38H42N2O7 |
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Average Mass | 638.7610 Da |
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Monoisotopic Mass | 638.29920 Da |
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IUPAC Name | (9S,27R)-4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.1^{3,7}.1^{9,13}.1^{19,23}.0^{17,35}.0^{27,34}]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol |
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Traditional Name | (9S,27R)-4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.1^{3,7}.1^{9,13}.1^{19,23}.0^{17,35}.0^{27,34}]hexatriaconta-1(31),3(36),4,6,13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC2=C3[C@@H](CC4=CC=C(OC5=CC(C[C@@H]6N(C)CCC7=C6C(OC3=C1)=C(OC)C(OC)=C7O)=CC=C5OC)C=C4)N(C)CC2 |
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InChI Identifier | InChI=1S/C38H42N2O7/c1-39-15-13-24-20-26(42-3)21-32-33(24)28(39)17-22-7-10-25(11-8-22)46-31-19-23(9-12-30(31)43-4)18-29-34-27(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-32/h7-12,19-21,28-29,41H,13-18H2,1-6H3/t28-,29+/m1/s1 |
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InChI Key | OEVSFNPOCWGVIK-WDYNHAJCSA-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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