| Record Information |
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| Version | 2.0 |
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| Created at | 2025-05-16 07:45:12 UTC |
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| Updated at | 2025-07-30 21:37:05 UTC |
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| NP-MRD ID | NP0351024 |
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| Natural Product DOI | https://doi.org/10.57994/4011 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Gerbeloidanol K |
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| Description | Not Available |
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| Structure | CC1=CC=CC(O)=C1C(=O)C[C@@H]1C[C@@H](C2=CC=C(O)C(O)=C2)C2=C(O1)C1=C(C)C=CC=C1OC2=O InChI=1S/C28H24O7/c1-14-5-3-7-20(30)24(14)22(32)13-17-12-18(16-9-10-19(29)21(31)11-16)26-27(34-17)25-15(2)6-4-8-23(25)35-28(26)33/h3-11,17-18,29-31H,12-13H2,1-2H3/t17-,18-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C28H24O7 |
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| Average Mass | 472.4930 Da |
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| Monoisotopic Mass | 472.15220 Da |
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| IUPAC Name | (2S,4S)-4-(3,4-dihydroxyphenyl)-2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-10-methyl-2H,3H,4H,5H-pyrano[3,2-c]chromen-5-one |
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| Traditional Name | (2S,4S)-4-(3,4-dihydroxyphenyl)-2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-10-methyl-2H,3H,4H-pyrano[3,2-c]chromen-5-one |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CC=CC(O)=C1C(=O)C[C@@H]1C[C@@H](C2=CC=C(O)C(O)=C2)C2=C(O1)C1=C(C)C=CC=C1OC2=O |
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| InChI Identifier | InChI=1S/C28H24O7/c1-14-5-3-7-20(30)24(14)22(32)13-17-12-18(16-9-10-19(29)21(31)11-16)26-27(34-17)25-15(2)6-4-8-23(25)35-28(26)33/h3-11,17-18,29-31H,12-13H2,1-2H3/t17-,18-/m0/s1 |
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| InChI Key | FMJGRIUXISGUOX-ROUUACIJSA-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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| ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | cslhh0608@163.com | PUMC | shilin chen | 2025-05-16 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | 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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| Gerbera Gerbera piloselloides | | |
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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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