Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 06:51:19 UTC |
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Updated at | 2022-09-12 06:51:19 UTC |
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NP-MRD ID | NP0325809 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-[(1s,2r)-1,2-dihydroxy-4-oxocyclohexyl]-3-[(2s,5r,6r)-6-[(2z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methylpyridin-2-one |
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Description | 5-[(1S,2R)-1,2-dihydroxy-4-oxocyclohexyl]-3-[(2S,5R,6R)-6-[(2Z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methyl-1,2-dihydropyridin-2-one belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review very few articles have been published on 5-[(1S,2R)-1,2-dihydroxy-4-oxocyclohexyl]-3-[(2S,5R,6R)-6-[(2Z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methyl-1,2-dihydropyridin-2-one. |
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Structure | CCC(C)CC(C)\C=C(\C)[C@@H]1O[C@@H](CC[C@H]1C)C1=C(O)C(=CN(C)C1=O)[C@@]1(O)CCC(=O)C[C@H]1O InChI=1S/C28H43NO6/c1-7-16(2)12-17(3)13-19(5)26-18(4)8-9-22(35-26)24-25(32)21(15-29(6)27(24)33)28(34)11-10-20(30)14-23(28)31/h13,15-18,22-23,26,31-32,34H,7-12,14H2,1-6H3/b19-13-/t16?,17?,18-,22+,23-,26-,28+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H43NO6 |
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Average Mass | 489.6530 Da |
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Monoisotopic Mass | 489.30904 Da |
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IUPAC Name | 5-[(1S,2R)-1,2-dihydroxy-4-oxocyclohexyl]-3-[(2S,5R,6R)-6-[(2Z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methyl-1,2-dihydropyridin-2-one |
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Traditional Name | 5-[(1S,2R)-1,2-dihydroxy-4-oxocyclohexyl]-3-[(2S,5R,6R)-6-[(2Z)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methylpyridin-2-one |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)CC(C)\C=C(\C)[C@@H]1O[C@@H](CC[C@H]1C)C1=C(O)C(=CN(C)C1=O)[C@@]1(O)CCC(=O)C[C@H]1O |
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InChI Identifier | InChI=1S/C28H43NO6/c1-7-16(2)12-17(3)13-19(5)26-18(4)8-9-22(35-26)24-25(32)21(15-29(6)27(24)33)28(34)11-10-20(30)14-23(28)31/h13,15-18,22-23,26,31-32,34H,7-12,14H2,1-6H3/b19-13-/t16?,17?,18-,22+,23-,26-,28+/m1/s1 |
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InChI Key | CYNJYGDSSURTLH-SZWNMPLSSA-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 terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. |
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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 | Terpene glycosides |
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Direct Parent | Terpene glycosides |
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Alternative Parents | |
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Substituents | - Terpene glycoside
- Monoterpenoid
- Monocyclic monoterpenoid
- Aromatic monoterpenoid
- Hydroxypyridine
- Pyridinone
- Dihydropyridine
- Pyridine
- Oxane
- Hydropyridine
- Heteroaromatic compound
- Vinylogous acid
- Tertiary alcohol
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Lactam
- Ketone
- 1,2-diol
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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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