Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 05:54:30 UTC |
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Updated at | 2022-09-07 05:54:30 UTC |
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NP-MRD ID | NP0244986 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 9-ethynyl-3-hydroxy-8-methoxy-4,4,6a,10,11b-pentamethyl-1h,2h,3h,4ah,5h,11h,11ah-cyclohexa[a]fluoren-6-one |
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Description | 14-Ethynyl-5-hydroxy-13-methoxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-11,13,15-trien-9-one belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. 14-Ethynyl-5-hydroxy-13-methoxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]Heptadeca-11,13,15-trien-9-one is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | COC1=CC2=C(CC3C2(C)C(=O)CC2C(C)(C)C(O)CCC32C)C(C)=C1C#C InChI=1S/C25H32O3/c1-8-15-14(2)16-11-20-24(5)10-9-21(26)23(3,4)19(24)13-22(27)25(20,6)17(16)12-18(15)28-7/h1,12,19-21,26H,9-11,13H2,2-7H3 |
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Synonyms | Not Available |
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Chemical Formula | C25H32O3 |
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Average Mass | 380.5280 Da |
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Monoisotopic Mass | 380.23514 Da |
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IUPAC Name | 14-ethynyl-5-hydroxy-13-methoxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-11(16),12,14-trien-9-one |
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Traditional Name | 14-ethynyl-5-hydroxy-13-methoxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-11(16),12,14-trien-9-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC2=C(CC3C2(C)C(=O)CC2C(C)(C)C(O)CCC32C)C(C)=C1C#C |
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InChI Identifier | InChI=1S/C25H32O3/c1-8-15-14(2)16-11-20-24(5)10-9-21(26)23(3,4)19(24)13-22(27)25(20,6)17(16)12-18(15)28-7/h1,12,19-21,26H,9-11,13H2,2-7H3 |
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InChI Key | NYQLNNYPSKJEBN-UHFFFAOYSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Fluorenes |
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Sub Class | Not Available |
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Direct Parent | Fluorenes |
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Alternative Parents | |
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Substituents | - Fluorene
- Indane
- Anisole
- Alkyl aryl ether
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Acetylide
- Ether
- Alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organic oxygen compound
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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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