Record Information |
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Version | 1.0 |
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Created at | 2022-06-29 19:38:14 UTC |
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Updated at | 2022-06-29 19:38:14 UTC |
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NP-MRD ID | NP0139072 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Euphorbia factor L7a |
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Description | Euphorbia factor L7a belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Euphorbia factor L7a is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC1CC2(OC(C)=O)C(C=C(COC(C)=O)CCC3C(C=C(C)C2=O)C3(C)C)C1OC(=O)C=CC1=CC=CC=C1 InChI=1S/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3 |
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Synonyms | Value | Source |
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1-(Acetyloxy)-10-[(acetyloxy)methyl]-3,6,6,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,10-dien-13-yl 3-phenylprop-2-enoic acid | Generator |
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Chemical Formula | C33H40O7 |
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Average Mass | 548.6760 Da |
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Monoisotopic Mass | 548.27740 Da |
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IUPAC Name | 1-(acetyloxy)-10-[(acetyloxy)methyl]-3,6,6,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,10-dien-13-yl 3-phenylprop-2-enoate |
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Traditional Name | 1-(acetyloxy)-10-[(acetyloxy)methyl]-3,6,6,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,10-dien-13-yl 3-phenylprop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | CC1CC2(OC(C)=O)C(C=C(COC(C)=O)CCC3C(C=C(C)C2=O)C3(C)C)C1OC(=O)C=CC1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C33H40O7/c1-20-16-27-26(32(27,5)6)14-12-25(19-38-22(3)34)17-28-30(21(2)18-33(28,31(20)37)40-23(4)35)39-29(36)15-13-24-10-8-7-9-11-24/h7-11,13,15-17,21,26-28,30H,12,14,18-19H2,1-6H3 |
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InChI Key | NMTNFTPLDSEWKL-UHFFFAOYSA-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 | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four 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 | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Lathyrane diterpenoid
- Cinnamic acid or derivatives
- Cinnamic acid ester
- Tricarboxylic acid or derivatives
- Styrene
- Alpha-acyloxy ketone
- Fatty acid ester
- Fatty acyl
- Monocyclic benzene moiety
- Benzenoid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Ketone
- Carboxylic acid ester
- Carboxylic acid derivative
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic 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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