Record Information |
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Version | 2.0 |
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Created at | 2023-10-13 12:21:21 UTC |
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Updated at | 2024-09-03 04:17:34 UTC |
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NP-MRD ID | NP0331973 |
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Natural Product DOI | https://doi.org/10.57994/1092 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane L |
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Description | Eremolatane L belongs to the class of organic compounds known as biflorane and serrulatane diterpenoids. These are diterpenoids with a structure based either on the biflorane or the serrulatane skeleton. Based on a literature review very few articles have been published on Eremolatane L. |
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Structure | [H][C@](C)(CC[C@@H](O)C(C)=C)[C@]1([H])CC[C@@H](C)C2=C(O)C=C(C=C12)C(O)=O InChI=1S/C20H28O4/c1-11(2)17(21)8-6-12(3)15-7-5-13(4)19-16(15)9-14(20(23)24)10-18(19)22/h9-10,12-13,15,17,21-22H,1,5-8H2,2-4H3,(H,23,24)/t12-,13+,15-,17+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H28O4 |
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Average Mass | 332.4400 Da |
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Monoisotopic Mass | 332.19876 Da |
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IUPAC Name | (5R,8S)-4-hydroxy-8-[(2S,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R,8S)-4-hydroxy-8-[(2S,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](C)(CC[C@@H](O)C(C)=C)[C@]1([H])CC[C@@H](C)C2=C(O)C=C(C=C12)C(O)=O |
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InChI Identifier | InChI=1S/C20H28O4/c1-11(2)17(21)8-6-12(3)15-7-5-13(4)19-16(15)9-14(20(23)24)10-18(19)22/h9-10,12-13,15,17,21-22H,1,5-8H2,2-4H3,(H,23,24)/t12-,13+,15-,17+/m0/s1 |
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InChI Key | OCYCBBRRPFXCKS-UICACZKSSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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 biflorane and serrulatane diterpenoids. These are diterpenoids with a structure based either on the biflorane or the serrulatane skeleton. |
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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 | Biflorane and serrulatane diterpenoids |
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Alternative Parents | |
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Substituents | - Biflorane diterpenoid
- 2-naphthalenecarboxylic acid or derivatives
- 2-naphthalenecarboxylic acid
- Tetralin
- Hydroxybenzoic acid
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Hydroxy fatty acid
- Branched fatty acid
- Fatty acyl
- Fatty acid
- Benzenoid
- Unsaturated fatty acid
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- 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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