Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 19:08:31 UTC |
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Updated at | 2022-04-28 19:08:31 UTC |
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NP-MRD ID | NP0073931 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-Podocarpaside D |
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Description | Podocarpaside D belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (-)-Podocarpaside D is found in Actaea podocarpa and Actaea podocarpa DC.. Based on a literature review very few articles have been published on Podocarpaside D. |
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Structure | C[C@H](CC(=O)CC(C)(C)O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(O)CC3=CC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O InChI=1S/C35H56O9/c1-19(14-21(36)16-31(2,3)41)27-23(37)17-34(7)22-8-9-25-32(4,5)26(44-30-29(40)28(39)24(38)18-43-30)11-13-35(25,42)15-20(22)10-12-33(27,34)6/h10,19,22,24-30,38-42H,8-9,11-18H2,1-7H3/t19-,22-,24+,25+,26+,27+,28+,29-,30+,33-,34+,35+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C35H56O9 |
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Average Mass | 620.8240 Da |
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Monoisotopic Mass | 620.39243 Da |
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IUPAC Name | (3S,6S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0^{3,8}.0^{12,16}]octadec-1(18)-en-14-one |
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Traditional Name | (3S,6S,8S,11R,12S,15R,16R)-3-hydroxy-15-[(2R)-6-hydroxy-6-methyl-4-oxoheptan-2-yl]-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}tetracyclo[9.7.0.0^{3,8}.0^{12,16}]octadec-1(18)-en-14-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](CC(=O)CC(C)(C)O)[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(O)CC3=CC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C35H56O9/c1-19(14-21(36)16-31(2,3)41)27-23(37)17-34(7)22-8-9-25-32(4,5)26(44-30-29(40)28(39)24(38)18-43-30)11-13-35(25,42)15-20(22)10-12-33(27,34)6/h10,19,22,24-30,38-42H,8-9,11-18H2,1-7H3/t19-,22-,24+,25+,26+,27+,28+,29-,30+,33-,34+,35+/m1/s1 |
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InChI Key | QOBLNULJOJPLNH-MWTKHQHPSA-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 triterpenoids. These are terpene molecules containing six 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 | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Steroid
- Glycosyl compound
- O-glycosyl compound
- Beta-hydroxy ketone
- Monosaccharide
- Oxane
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Cyclic ketone
- Polyol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organooxygen compound
- Organic oxide
- Alcohol
- Organic oxygen compound
- Carbonyl group
- 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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