Record Information |
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Version | 1.0 |
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Created at | 2024-05-04 02:40:49 UTC |
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Updated at | 2024-05-06 00:10:50 UTC |
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NP-MRD ID | NP0333046 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Diphybiflavonoid D |
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Description | Not Available |
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Structure | COC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC2=C(O[C@]3(O)C(=O)C4=C(O)C=C(O)C=C4O[C@@]3(O2)C2=CC=C(O)C=C2)C=C1 InChI=1S/C31H20O13/c1-40-28-26(37)24-18(35)9-16(33)11-22(24)41-27(28)13-2-7-20-21(8-13)43-31(14-3-5-15(32)6-4-14)30(39,42-20)29(38)25-19(36)10-17(34)12-23(25)44-31/h2-12,32-36,39H,1H3/t30-,31+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H20O13 |
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Average Mass | 600.4880 Da |
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Monoisotopic Mass | 600.09039 Da |
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IUPAC Name | (5aR,11aR)-8-(5,7-dihydroxy-3-methoxy-4-oxo-4H-chromen-2-yl)-1,3,11a-trihydroxy-5a-(4-hydroxyphenyl)-11a,12-dihydro-5aH-5,6,11-trioxatetracen-12-one |
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Traditional Name | (5aR,11aR)-8-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-1,3,11a-trihydroxy-5a-(4-hydroxyphenyl)-5,6,11-trioxatetracen-12-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC2=C(O[C@]3(O)C(=O)C4=C(O)C=C(O)C=C4O[C@@]3(O2)C2=CC=C(O)C=C2)C=C1 |
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InChI Identifier | InChI=1S/C31H20O13/c1-40-28-26(37)24-18(35)9-16(33)11-22(24)41-27(28)13-2-7-20-21(8-13)43-31(14-3-5-15(32)6-4-14)30(39,42-20)29(38)25-19(36)10-17(34)12-23(25)44-31/h2-12,32-36,39H,1H3/t30-,31+/m1/s1 |
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InChI Key | GRGGPONHUGBDDL-JSOSNVBQSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | sunyanjunily@126.com | Henan University of Chinese Medicine | Yan-jun Sun | 2024-05-04 | 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 | |
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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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