| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-11 03:53:21 UTC |
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| Updated at | 2024-09-11 03:53:21 UTC |
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| NP-MRD ID | NP0335924 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene |
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| Description | 7Alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Based on a literature review very few articles have been published on 7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene. |
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| Structure | CC(=O)OC1CC2C(C\C=C/C(=O)OC2(C)C)C2=CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1 InChI=1/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6- |
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| Synonyms | | Value | Source |
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| 7a-1(10->19)-abeo-7-acetoxyobacun-9(11)-ene | Generator | | 7Α-1(10->19)-abeo-7-acetoxyobacun-9(11)-ene | Generator |
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| Chemical Formula | C28H32O8 |
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| Average Mass | 496.5560 Da |
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| Monoisotopic Mass | 496.20972 Da |
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| IUPAC Name | (4Z)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0^{2,9}.0^{13,15}.0^{13,19}]henicosa-1(21),4-dien-11-yl acetate |
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| Traditional Name | (4Z)-18-(furan-3-yl)-8,8,12,19-tetramethyl-6,16-dioxo-7,14,17-trioxapentacyclo[10.9.0.0^{2,9}.0^{13,15}.0^{13,19}]henicosa-1(21),4-dien-11-yl acetate |
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| CAS Registry Number | Not Available |
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| SMILES | CC(=O)OC1CC2C(C\C=C/C(=O)OC2(C)C)C2=CCC3(C)C(OC(=O)C4OC34C12C)C1=COC=C1 |
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| InChI Identifier | InChI=1/C28H32O8/c1-15(29)33-20-13-19-17(7-6-8-21(30)35-25(19,2)3)18-9-11-26(4)22(16-10-12-32-14-16)34-24(31)23-28(26,36-23)27(18,20)5/h6,8-10,12,14,17,19-20,22-23H,7,11,13H2,1-5H3/b8-6- |
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| InChI Key | VIZDPIMTQWFZEF-VURMDHGXNA-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 | This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Naphthopyrans |
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| Sub Class | Not Available |
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| Direct Parent | Naphthopyrans |
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| Alternative Parents | |
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| Substituents | - Naphthopyran
- Naphthalene
- Tricarboxylic acid or derivatives
- 1,4-dioxepane
- Delta valerolactone
- Dioxepane
- Delta_valerolactone
- Oxane
- Pyran
- Furan
- Heteroaromatic compound
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Lactone
- Carboxylic acid ester
- Ether
- Oxirane
- Dialkyl ether
- Oxacycle
- Carboxylic acid derivative
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- 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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