| Record Information |
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| Version | 2.0 |
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| Created at | 2025-01-13 08:50:32 UTC |
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| Updated at | 2026-02-24 17:01:18 UTC |
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| NP-MRD ID | NP0350602 |
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| Natural Product DOI | https://doi.org/10.57994/3580 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Calancardin C |
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| Description | Calancardin C was first documented in 2025 (PMID: 39877934). Based on a literature review very few articles have been published on Calancardin B. |
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| Structure | COC1=CC(O)=CC(CCC2=CC(OC)=C(O)C(=C2)C2=C(O)C=C(OC)C3=C2CCC2=C3C=CC(O)=C2)=C1 InChI=1S/C31H30O7/c1-36-22-11-17(10-21(33)15-22)4-5-18-12-25(31(35)28(13-18)38-3)29-24-8-6-19-14-20(32)7-9-23(19)30(24)27(37-2)16-26(29)34/h7,9-16,32-35H,4-6,8H2,1-3H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C31H30O7 |
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| Average Mass | 514.5740 Da |
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| Monoisotopic Mass | 514.19915 Da |
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| IUPAC Name | 1-{2-hydroxy-5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-3-methoxyphenyl}-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
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| Traditional Name | 1-{2-hydroxy-5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-3-methoxyphenyl}-4-methoxy-9,10-dihydrophenanthrene-2,7-diol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC(O)=CC(CCC2=CC(OC)=C(O)C(=C2)C2=C(O)C=C(OC)C3=C2CCC2=C3C=CC(O)=C2)=C1 |
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| InChI Identifier | InChI=1S/C31H30O7/c1-36-22-11-17(10-21(33)15-22)4-5-18-12-25(31(35)28(13-18)38-3)29-24-8-6-19-14-20(32)7-9-23(19)30(24)27(37-2)16-26(29)34/h7,9-16,32-35H,4-6,8H2,1-3H3 |
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| InChI Key | FKLAWLVOHXRCJF-UHFFFAOYSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | Not Available | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | Not Available | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | Not Available | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C3D6O, experimental) | Not Available | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C3D6O, experimental) | Not Available | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, C3D6O, experimental) | Not Available | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C3D6O, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 400.0, Acetone-d6, simulated) | [email protected] | Not Available | Not Available | 2026-02-24 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 100.0, Acetone-d6, simulated) | [email protected] | Not Available | Not Available | 2026-02-24 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400, C3D6O, simulated) | [email protected] | Chulalongkorn University | Chattarika Pengdee | 2025-01-13 | View Spectrum |
| | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| Calanthe cardioglossa | | | | Calanthe cardioglossa | | |
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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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