| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-28 18:29:36 UTC |
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| Updated at | 2022-04-28 18:29:36 UTC |
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| NP-MRD ID | NP0073216 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Telosmoside A11 |
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| Description | (1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16R)-16-(acetyloxy)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-14-yl]ethyl (2S)-2-methylbutanoate belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. Telosmoside A11 is found in Telosma procumbens . Based on a literature review very few articles have been published on (1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16R)-16-(acetyloxy)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-14-yl]ethyl (2S)-2-methylbutanoate. |
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| Structure | CC[C@H](C)C(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C)O[C@@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](OC)[C@H]5O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 InChI=1S/C62H104O23/c1-16-29(2)57(67)79-35(8)61(68)21-22-62(69)39-18-17-37-23-38(19-20-59(37,10)40(39)24-45(60(61,62)11)80-36(9)63)81-46-25-41(64)52(31(4)74-46)82-47-26-42(70-12)53(32(5)75-47)83-48-27-43(71-13)54(33(6)76-48)84-49-28-44(72-14)55(34(7)77-49)85-58-51(66)56(73-15)50(65)30(3)78-58/h29-35,37-56,58,64-66,68-69H,16-28H2,1-15H3/t29-,30+,31+,32+,33+,34+,35-,37-,38-,39+,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56-,58-,59-,60+,61+,62-/m0/s1 |
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| Synonyms | | Value | Source |
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| (1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16R)-16-(Acetyloxy)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0,.0,]heptadecan-14-yl]ethyl (2S)-2-methylbutanoic acid | Generator |
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| Chemical Formula | C62H104O23 |
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| Average Mass | 1217.4910 Da |
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| Monoisotopic Mass | 1216.69684 Da |
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| IUPAC Name | (1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16R)-16-(acetyloxy)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethyl (2S)-2-methylbutanoate |
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| Traditional Name | (1S)-1-[(1S,2S,5S,7S,10R,11S,14S,15S,16R)-16-(acetyloxy)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,4R,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethyl (2S)-2-methylbutanoate |
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| CAS Registry Number | Not Available |
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| SMILES | CC[C@H](C)C(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C)O[C@@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](OC)[C@H]5O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
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| InChI Identifier | InChI=1S/C62H104O23/c1-16-29(2)57(67)79-35(8)61(68)21-22-62(69)39-18-17-37-23-38(19-20-59(37,10)40(39)24-45(60(61,62)11)80-36(9)63)81-46-25-41(64)52(31(4)74-46)82-47-26-42(70-12)53(32(5)75-47)83-48-27-43(71-13)54(33(6)76-48)84-49-28-44(72-14)55(34(7)77-49)85-58-51(66)56(73-15)50(65)30(3)78-58/h29-35,37-56,58,64-66,68-69H,16-28H2,1-15H3/t29-,30+,31+,32+,33+,34+,35-,37-,38-,39+,40-,41-,42-,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56-,58-,59-,60+,61+,62-/m0/s1 |
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| InChI Key | JBABRITZWMACBP-PFTDFMFMSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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 | Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Steroidal glycosides |
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| Direct Parent | Steroidal glycosides |
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| Alternative Parents | |
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| Substituents | - Steroidal glycoside
- Oligosaccharide
- Pregnane-skeleton
- Steroid ester
- 17-hydroxysteroid
- Hydroxysteroid
- 14-hydroxysteroid
- O-glycosyl compound
- Glycosyl compound
- Oxane
- Dicarboxylic acid or derivatives
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Acetal
- 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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