Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 17:29:54 UTC |
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Updated at | 2022-09-02 17:29:55 UTC |
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NP-MRD ID | NP0159697 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,4r,4'r,8s,22r)-4,4',6,12,17,17-hexamethyl-9,18-dioxaspiro[hexacyclo[11.10.0.0¹,²².0⁴,¹².0⁵,¹⁰.0¹⁶,²²]tricosane-8,2'-oxolane]-5',19-dione |
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Description | Pseudolarolide D belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1s,4r,4'r,8s,22r)-4,4',6,12,17,17-hexamethyl-9,18-dioxaspiro[hexacyclo[11.10.0.0¹,²².0⁴,¹².0⁵,¹⁰.0¹⁶,²²]tricosane-8,2'-oxolane]-5',19-dione is found in Larix kaempferi. Based on a literature review very few articles have been published on Pseudolarolide D. |
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Structure | C[C@@H]1C[C@]2(CC(C)C3C(CC4(C)C5CCC6[C@]7(C[C@@]57CC[C@]34C)CCC(=O)OC6(C)C)O2)OC1=O InChI=1S/C30H44O5/c1-17-13-30(14-18(2)24(32)35-30)33-19-15-27(6)21-8-7-20-25(3,4)34-22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17?,18-,19?,20?,21?,23?,26-,27?,28-,29+,30+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H44O5 |
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Average Mass | 484.6770 Da |
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Monoisotopic Mass | 484.31887 Da |
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IUPAC Name | (1S,4R,4'R,8S,22R)-4,4',6,12,17,17-hexamethyl-9,18-dioxaspiro[hexacyclo[11.10.0.0^{1,22}.0^{4,12}.0^{5,10}.0^{16,22}]tricosane-8,2'-oxolane]-5',19-dione |
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Traditional Name | (1S,4R,4'R,8S,22R)-4,4',6,12,17,17-hexamethyl-9,18-dioxaspiro[hexacyclo[11.10.0.0^{1,22}.0^{4,12}.0^{5,10}.0^{16,22}]tricosane-8,2'-oxolane]-5',19-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1C[C@]2(CC(C)C3C(CC4(C)C5CCC6[C@]7(C[C@@]57CC[C@]34C)CCC(=O)OC6(C)C)O2)OC1=O |
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InChI Identifier | InChI=1S/C30H44O5/c1-17-13-30(14-18(2)24(32)35-30)33-19-15-27(6)21-8-7-20-25(3,4)34-22(31)9-10-28(20)16-29(21,28)12-11-26(27,5)23(17)19/h17-21,23H,7-16H2,1-6H3/t17?,18-,19?,20?,21?,23?,26-,27?,28-,29+,30+/m1/s1 |
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InChI Key | CXOURXPOOHLOKR-HFOPWLQVSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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
- Caprolactone
- Ketal
- Oxepane
- Oxane
- Gamma butyrolactone
- Dicarboxylic acid or derivatives
- Tetrahydrofuran
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen 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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