| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-10 17:39:33 UTC |
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| Updated at | 2022-09-10 17:39:33 UTC |
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| NP-MRD ID | NP0303363 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (2s,5s,7s,14r,15r)-14-[(2r,5s)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0²,⁷.0¹¹,¹⁵]octadeca-1(17),10-diene |
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| Description | (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0²,⁷.0¹¹,¹⁵]Octadeca-1(17),10-diene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0²,⁷.0¹¹,¹⁵]Octadeca-1(17),10-diene. |
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| Structure | CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@]4(C)C(O3)=CC[C@]12C)OC)C(C)C InChI=1S/C30H50O2/c1-8-22(20(2)3)10-9-21(4)25-12-13-26-27-14-11-23-19-24(31-7)15-17-29(23,5)28(32-27)16-18-30(25,26)6/h16,20-25H,8-15,17-19H2,1-7H3/t21-,22+,23+,24+,25-,29+,30-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H50O2 |
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| Average Mass | 442.7280 Da |
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| Monoisotopic Mass | 442.38108 Da |
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| IUPAC Name | (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0^{2,7}.0^{11,15}]octadeca-1(17),10-diene |
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| Traditional Name | (2S,5S,7S,14R,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-5-methoxy-2,15-dimethyl-18-oxatetracyclo[8.7.1.0^{2,7}.0^{11,15}]octadeca-1(17),10-diene |
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| CAS Registry Number | Not Available |
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| SMILES | CC[C@@H](CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@]4(C)C(O3)=CC[C@]12C)OC)C(C)C |
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| InChI Identifier | InChI=1S/C30H50O2/c1-8-22(20(2)3)10-9-21(4)25-12-13-26-27-14-11-23-19-24(31-7)15-17-29(23,5)28(32-27)16-18-30(25,26)6/h16,20-25H,8-15,17-19H2,1-7H3/t21-,22+,23+,24+,25-,29+,30-/m1/s1 |
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| InChI Key | GCUCQUNFJBMKSJ-FLJDZVPQSA-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 sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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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 | Sesquiterpenoids |
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| Direct Parent | Sesquiterpenoids |
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| Alternative Parents | |
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| Substituents | - Sesquiterpenoid
- Oxepane
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- 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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