Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 02:53:51 UTC |
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Updated at | 2022-04-29 02:53:51 UTC |
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NP-MRD ID | NP0081823 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-Hoodigoside T |
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Description | (2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6R)-6-{[(1S,2R,5S,10R,11S,14S,15R)-11-hydroxy-2,15-dimethyl-14-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoate 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. (-)-Hoodigoside T is found in Hoodia gordonii . Based on a literature review very few articles have been published on (2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6R)-6-{[(1S,2R,5S,10R,11S,14S,15R)-11-hydroxy-2,15-dimethyl-14-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-7-en-5-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoate. |
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Structure | CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC=C3C2)[C@H](C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](OC(=O)C(\C)=C\C)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 InChI=1S/C66H108O26/c1-14-30(2)61(74)92-60-35(7)84-50(27-44(60)79-13)91-59-34(6)83-49(26-43(59)78-12)90-58-33(5)82-48(25-42(58)77-11)89-57-32(4)81-47(24-41(57)76-10)86-37-17-20-64(8)36(23-37)15-16-40-39(64)18-21-65(9)38(19-22-66(40,65)75)31(3)85-63-56(73)54(71)52(69)46(88-63)29-80-62-55(72)53(70)51(68)45(28-67)87-62/h14-15,31-35,37-60,62-63,67-73,75H,16-29H2,1-13H3/b30-14+/t31-,32+,33+,34+,35+,37-,38+,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,62+,63+,64-,65+,66-/m0/s1 |
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Synonyms | Value | Source |
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(2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6R)-6-{[(1S,2R,5S,10R,11S,14S,15R)-11-hydroxy-2,15-dimethyl-14-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl]tetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoic acid | Generator |
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Chemical Formula | C66H108O26 |
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Average Mass | 1317.5640 Da |
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Monoisotopic Mass | 1316.71288 Da |
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IUPAC Name | (2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6R)-6-{[(1S,2R,5S,10R,11S,14S,15R)-11-hydroxy-2,15-dimethyl-14-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoate |
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Traditional Name | (2R,3R,4R,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6S)-6-{[(2R,3R,4S,6R)-6-{[(1S,2R,5S,10R,11S,14S,15R)-11-hydroxy-2,15-dimethyl-14-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}ethyl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC=C3C2)[C@H](C)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@@H](OC)[C@H](OC(=O)C(\C)=C\C)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
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InChI Identifier | InChI=1S/C66H108O26/c1-14-30(2)61(74)92-60-35(7)84-50(27-44(60)79-13)91-59-34(6)83-49(26-43(59)78-12)90-58-33(5)82-48(25-42(58)77-11)89-57-32(4)81-47(24-41(57)76-10)86-37-17-20-64(8)36(23-37)15-16-40-39(64)18-21-65(9)38(19-22-66(40,65)75)31(3)85-63-56(73)54(71)52(69)46(88-63)29-80-62-55(72)53(70)51(68)45(28-67)87-62/h14-15,31-35,37-60,62-63,67-73,75H,16-29H2,1-13H3/b30-14+/t31-,32+,33+,34+,35+,37-,38+,39-,40+,41-,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,62+,63+,64-,65+,66-/m0/s1 |
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InChI Key | LQIZNFMXVWVSHG-NFOPTBIJSA-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
- Hydroxysteroid
- 14-hydroxysteroid
- Delta-5-steroid
- O-glycosyl compound
- Glycosyl compound
- Oxane
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Primary alcohol
- 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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