| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 21:18:54 UTC |
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| Updated at | 2022-09-05 21:18:54 UTC |
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| NP-MRD ID | NP0220098 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,10r)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol |
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| Description | (1R,10R)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. (1r,10r)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol is found in Lespedeza bicolor. Based on a literature review very few articles have been published on (1R,10R)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-2,4,6,11(16),12,14-hexaene-5,14-diol. |
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| Structure | COC1=CC(O)=C(CC=C(C)CCC=C(C)C)C2=C1[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CO2 InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-23(29-4)24-25(19)30-14-20-18-11-9-17(27)12-22(18)31-26(20)24/h6,8-9,11-13,20,26-28H,5,7,10,14H2,1-4H3/t20-,26+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C26H30O5 |
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| Average Mass | 422.5210 Da |
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| Monoisotopic Mass | 422.20932 Da |
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| IUPAC Name | (1R,10R)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol |
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| Traditional Name | (1R,10R)-6-(3,7-dimethylocta-2,6-dien-1-yl)-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2(7),3,5,11,13,15-hexaene-5,14-diol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC(O)=C(CC=C(C)CCC=C(C)C)C2=C1[C@@H]1OC3=CC(O)=CC=C3[C@@H]1CO2 |
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| InChI Identifier | InChI=1S/C26H30O5/c1-15(2)6-5-7-16(3)8-10-19-21(28)13-23(29-4)24-25(19)30-14-20-18-11-9-17(27)12-22(18)31-26(20)24/h6,8-9,11-13,20,26-28H,5,7,10,14H2,1-4H3/t20-,26+/m0/s1 |
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| InChI Key | KQOZBCGTGONGDN-RXFWQSSRSA-N |
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| Experimental Spectra |
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| Not Available | | 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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| Description | Belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Isoflavonoids |
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| Sub Class | Furanoisoflavonoids |
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| Direct Parent | Pterocarpans |
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| Alternative Parents | |
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| Substituents | - Pterocarpan
- Isoflavanol
- Isoflavan
- 1-benzopyran
- Monoterpenoid
- Benzopyran
- Chromane
- Aromatic monoterpenoid
- Coumaran
- Benzofuran
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Oxacycle
- Organoheterocyclic compound
- Ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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