Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 00:10:07 UTC |
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Updated at | 2022-04-29 00:10:07 UTC |
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NP-MRD ID | NP0079106 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Hypopurin C |
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Description | (1S,5R,8R,10S,13R,14R)-14-[2-(furan-3-yl)-2-oxoethyl]-5,10-dimethyl-7,9-dioxatetracyclo[8.3.1.0¹,⁸.0⁵,¹³]Tetradecan-6-one belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. (+)-Hypopurin C is found in Hypoestes purpurea. Based on a literature review very few articles have been published on (1S,5R,8R,10S,13R,14R)-14-[2-(furan-3-yl)-2-oxoethyl]-5,10-dimethyl-7,9-dioxatetracyclo[8.3.1.0¹,⁸.0⁵,¹³]Tetradecan-6-one. |
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Structure | C[C@@]12CC[C@@H]3[C@@]4(CCC[C@@]3(C)C(=O)O[C@H]4O1)[C@H]2CC(=O)C1=COC=C1 InChI=1S/C20H24O5/c1-18-6-3-7-20-14(18)4-8-19(2,25-17(20)24-16(18)22)15(20)10-13(21)12-5-9-23-11-12/h5,9,11,14-15,17H,3-4,6-8,10H2,1-2H3/t14-,15-,17-,18+,19-,20-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H24O5 |
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Average Mass | 344.4070 Da |
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Monoisotopic Mass | 344.16237 Da |
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IUPAC Name | (1S,5R,8R,10S,13R,14R)-14-[2-(furan-3-yl)-2-oxoethyl]-5,10-dimethyl-7,9-dioxatetracyclo[8.3.1.0^{1,8}.0^{5,13}]tetradecan-6-one |
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Traditional Name | (1S,5R,8R,10S,13R,14R)-14-[2-(furan-3-yl)-2-oxoethyl]-5,10-dimethyl-7,9-dioxatetracyclo[8.3.1.0^{1,8}.0^{5,13}]tetradecan-6-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@]12CC[C@@H]3[C@@]4(CCC[C@@]3(C)C(=O)O[C@H]4O1)[C@H]2CC(=O)C1=COC=C1 |
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InChI Identifier | InChI=1S/C20H24O5/c1-18-6-3-7-20-14(18)4-8-19(2,25-17(20)24-16(18)22)15(20)10-13(21)12-5-9-23-11-12/h5,9,11,14-15,17H,3-4,6-8,10H2,1-2H3/t14-,15-,17-,18+,19-,20-/m0/s1 |
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InChI Key | COSWXWSVBYDRKX-BEUOHLRXSA-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 diterpene lactones. These are diterpenoids containing a lactone moiety. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Diterpene lactones |
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Alternative Parents | |
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Substituents | - Clerodane diterpenoid
- Diterpenoid
- Diterpene lactone
- Furopyran
- Aryl alkyl ketone
- Aryl ketone
- Oxepane
- Delta_valerolactone
- Delta valerolactone
- Pyran
- Oxane
- Heteroaromatic compound
- Tetrahydrofuran
- Furan
- Lactone
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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