Record Information |
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Version | 2.0 |
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Created at | 2023-11-02 00:01:06 UTC |
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Updated at | 2024-09-03 04:17:53 UTC |
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NP-MRD ID | NP0332077 |
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Natural Product DOI | https://doi.org/10.57994/1205 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Euphylonane I |
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Description | Euphylonane I belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on Euphylonane I. |
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Structure | [H][C@]12[C@]3([H])[C@H]4O[C@@]4(C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5)C(C)=C[C@]4([C@H](C)C[C@@]1(OC(=O)C1=CC=CC=C1)C2(C)C)C3=O InChI=1S/C34H36O8/c1-18-16-32-19(2)17-33(42-28(37)21-14-10-7-11-15-21)23(30(33,3)4)22(24(32)35)26-31(5,41-26)29(38)34(32,39)25(18)40-27(36)20-12-8-6-9-13-20/h6-16,19,22-23,25-26,29,38-39H,17H2,1-5H3/t19-,22+,23-,25+,26-,29-,31-,32+,33+,34-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C34H36O8 |
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Average Mass | 572.6540 Da |
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Monoisotopic Mass | 572.24102 Da |
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IUPAC Name | (1S,4S,5S,6S,7S,9R,10R,11R,13S,15R)-13-(benzoyloxy)-5,6-dihydroxy-3,7,12,12,15-pentamethyl-16-oxo-8-oxapentacyclo[8.5.1.0^{1,5}.0^{7,9}.0^{11,13}]hexadec-2-en-4-yl benzoate |
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Traditional Name | (1S,4S,5S,6S,7S,9R,10R,11R,13S,15R)-13-(benzoyloxy)-5,6-dihydroxy-3,7,12,12,15-pentamethyl-16-oxo-8-oxapentacyclo[8.5.1.0^{1,5}.0^{7,9}.0^{11,13}]hexadec-2-en-4-yl benzoate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12[C@]3([H])[C@H]4O[C@@]4(C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)C5=CC=CC=C5)C(C)=C[C@]4([C@H](C)C[C@@]1(OC(=O)C1=CC=CC=C1)C2(C)C)C3=O |
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InChI Identifier | InChI=1S/C34H36O8/c1-18-16-32-19(2)17-33(42-28(37)21-14-10-7-11-15-21)23(30(33,3)4)22(24(32)35)26-31(5,41-26)29(38)34(32,39)25(18)40-27(36)20-12-8-6-9-13-20/h6-16,19,22-23,25-26,29,38-39H,17H2,1-5H3/t19-,22+,23-,25+,26-,29-,31-,32+,33+,34-/m1/s1 |
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InChI Key | GVHFPTLKZZSCQK-GPZICZBUSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| Predicted Spectra |
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| Not Available | 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 | This compound 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
- Fatty alcohol ester
- Benzoate ester
- Benzoic acid or derivatives
- Benzoyl
- Fatty acid ester
- Fatty acyl
- Benzenoid
- Dicarboxylic acid or derivatives
- Beta-hydroxy ketone
- Monocyclic benzene moiety
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic 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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