| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-07 07:40:41 UTC |
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| Updated at | 2024-09-12 20:31:02 UTC |
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| NP-MRD ID | NP0246267 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1e,3s,4r,6r,8s,11s,13r,15r)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]nonadeca-1,9-diene-7,17,18-trione |
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| Description | (1E,3s,4r,6r,8s,11s,13r,15r)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]Nonadeca-1,9-diene-7,17,18-trione belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. (1e,3s,4r,6r,8s,11s,13r,15r)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]nonadeca-1,9-diene-7,17,18-trione is found in Micromonospora chalcea. Based on a literature review very few articles have been published on (1e,3s,4r,6r,8s,11s,13r,15r)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]Nonadeca-1,9-diene-7,17,18-trione. |
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| Structure | [H]O[C@@]1([H])C([H])([H])[C@@]2([H])OC(=O)\C(=C([H])\[C@]3([H])[C@@]4([H])C([H])([H])[C@]([H])(C(=O)[C@@]4([H])C([H])=C([H])[C@]3([H])C1([H])[H])C([H])([H])[H])C(=O)C2([H])[H] InChI=1/C19H22O5/c1-9-4-15-13(18(9)22)3-2-10-5-11(20)6-12-7-17(21)16(8-14(10)15)19(23)24-12/h2-3,8-15,20H,4-7H2,1H3/b16-8+/t9-,10-,11-,12-,13+,14+,15+/s2 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H22O5 |
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| Average Mass | 330.3800 Da |
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| Monoisotopic Mass | 330.14672 Da |
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| IUPAC Name | (1E,3S,4R,6R,8S,11S,13R,15R)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0^{3,11}.0^{4,8}]nonadeca-1,9-diene-7,17,18-trione |
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| Traditional Name | (1E,3S,4R,6R,8S,11S,13R,15R)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0^{3,11}.0^{4,8}]nonadeca-1,9-diene-7,17,18-trione |
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| CAS Registry Number | Not Available |
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| SMILES | [H]O[C@@]1([H])C([H])([H])[C@@]2([H])OC(=O)\C(=C([H])\[C@]3([H])[C@@]4([H])C([H])([H])[C@]([H])(C(=O)[C@@]4([H])C([H])=C([H])[C@]3([H])C1([H])[H])C([H])([H])[H])C(=O)C2([H])[H] |
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| InChI Identifier | InChI=1/C19H22O5/c1-9-4-15-13(18(9)22)3-2-10-5-11(20)6-12-7-17(21)16(8-14(10)15)19(23)24-12/h2-3,8-15,20H,4-7H2,1H3/b16-8+/t9-,10-,11-,12-,13+,14+,15+/s2 |
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| InChI Key | BYUKEFZLYIFNCB-JQQURGLYNA-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 | This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Lactones |
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| Sub Class | Delta valerolactones |
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| Direct Parent | Delta valerolactones |
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| Alternative Parents | |
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| Substituents | - Delta valerolactone
- Delta_valerolactone
- Oxane
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Carboxylic acid ester
- Ketone
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Oxacycle
- Organooxygen compound
- Organic oxide
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic 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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