| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 04:54:46 UTC |
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| Updated at | 2022-09-05 04:54:46 UTC |
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| NP-MRD ID | NP0208054 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (15e)-7,9,11,13,17-pentahydroxy-17-{9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl}-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl hexadecanoate |
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| Description | (15E)-7,9,11,13,17-pentahydroxy-17-{9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]Hexadec-4-en-15-yl}-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl hexadecanoate belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Based on a literature review very few articles have been published on (15E)-7,9,11,13,17-pentahydroxy-17-{9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]Hexadec-4-en-15-yl}-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl hexadecanoate. |
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| Structure | CCCCCCCCCCCCCCCC(=O)OC(CC(O)C(C)C(O)CC(O)C(C)(C)C(O)C\C(C)=C\C(O)C1(C)OC2CC1OC(=O)C=C(C)CC(C)CC(O)CC(C)C2)CC(=C)C(=C)OC InChI=1S/C57H100O12/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-54(64)67-46(34-42(6)44(8)66-12)35-48(59)43(7)49(60)37-51(62)56(9,10)50(61)31-41(5)32-52(63)57(11)53-36-47(69-57)30-40(4)29-45(58)28-38(2)27-39(3)33-55(65)68-53/h32-33,38,40,43,45-53,58-63H,6,8,13-31,34-37H2,1-5,7,9-12H3/b39-33?,41-32+ |
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| Synonyms | | Value | Source |
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| (15E)-7,9,11,13,17-Pentahydroxy-17-{9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl}-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl hexadecanoic acid | Generator |
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| Chemical Formula | C57H100O12 |
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| Average Mass | 977.4150 Da |
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| Monoisotopic Mass | 976.72148 Da |
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| IUPAC Name | (15E)-7,9,11,13,17-pentahydroxy-17-{9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl}-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl hexadecanoate |
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| Traditional Name | (15E)-7,9,11,13,17-pentahydroxy-17-{9-hydroxy-5,7,11,15-tetramethyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadec-4-en-15-yl}-2-methoxy-8,12,12,15-tetramethyl-3-methylideneheptadeca-1,15-dien-5-yl hexadecanoate |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCCCCCCC(=O)OC(CC(O)C(C)C(O)CC(O)C(C)(C)C(O)C\C(C)=C\C(O)C1(C)OC2CC1OC(=O)C=C(C)CC(C)CC(O)CC(C)C2)CC(=C)C(=C)OC |
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| InChI Identifier | InChI=1S/C57H100O12/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-54(64)67-46(34-42(6)44(8)66-12)35-48(59)43(7)49(60)37-51(62)56(9,10)50(61)31-41(5)32-52(63)57(11)53-36-47(69-57)30-40(4)29-45(58)28-38(2)27-39(3)33-55(65)68-53/h32-33,38,40,43,45-53,58-63H,6,8,13-31,34-37H2,1-5,7,9-12H3/b39-33?,41-32+ |
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| InChI Key | UPAUPXVTMJYUNC-LJANJKOLSA-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 long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty alcohols |
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| Direct Parent | Long-chain fatty alcohols |
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| Alternative Parents | |
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| Substituents | - Long chain fatty alcohol
- Fatty alcohol ester
- Fatty acid ester
- Monosaccharide
- Dicarboxylic acid or derivatives
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tetrahydrofuran
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- 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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