Record Information |
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Version | 2.0 |
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Created at | 2024-03-21 17:54:19 UTC |
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Updated at | 2024-09-16 20:04:22 UTC |
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NP-MRD ID | NP0332715 |
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Natural Product DOI | https://doi.org/10.57994/1976 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | fumionoceroid B |
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Description | Fumionoceroid B belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Based on a literature review very few articles have been published on fumionoceroid B. |
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Structure | [H][C@@]12CC[C@@H](C)[C@@](C)(CC[C@H]3C(=C)CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)C1=CC[C@H](O)C2(C)C InChI=1S/C30H50O2/c1-19-9-13-24-28(5,6)26(32)16-18-30(24,8)21(19)15-17-29(7)20(2)10-11-22-23(29)12-14-25(31)27(22,3)4/h12,20-22,24-26,31-32H,1,9-11,13-18H2,2-8H3/t20-,21+,22-,24+,25+,26+,29-,30-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H50O2 |
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Average Mass | 442.7280 Da |
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Monoisotopic Mass | 442.38108 Da |
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IUPAC Name | (2S,5R,6R,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-1,1,5,6-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-ol |
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Traditional Name | (2S,5R,6R,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-1,1,5,6-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-2-ol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12CC[C@@H](C)[C@@](C)(CC[C@H]3C(=C)CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)C1=CC[C@H](O)C2(C)C |
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InChI Identifier | InChI=1S/C30H50O2/c1-19-9-13-24-28(5,6)26(32)16-18-30(24,8)21(19)15-17-29(7)20(2)10-11-22-23(29)12-14-25(31)27(22,3)4/h12,20-22,24-26,31-32H,1,9-11,13-18H2,2-8H3/t20-,21+,22-,24+,25+,26+,29-,30-/m1/s1 |
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InChI Key | VPRYDBTZQYKRKQ-YLEOSBRZSA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | ymatsuda@cityu.edu.hk | City University of Hong Kong | Yudai Matsuda | 2024-03-21 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | ymatsuda@cityu.edu.hk | City University of Hong Kong | Yudai Matsuda | 2024-03-21 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | ymatsuda@cityu.edu.hk | City University of Hong Kong | Yudai Matsuda | 2024-03-21 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | ymatsuda@cityu.edu.hk | City University of Hong Kong | Yudai Matsuda | 2024-03-21 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | ymatsuda@cityu.edu.hk | City University of Hong Kong | Yudai Matsuda | 2024-03-21 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | ymatsuda@cityu.edu.hk | City University of Hong Kong | Yudai Matsuda | 2024-03-21 | 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 | Species Name | Source | Reference |
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fumigatus | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive 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 | Sesterterpenoids |
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Direct Parent | Sesterterpenoids |
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Alternative Parents | |
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Substituents | - Sesterterpenoid
- Polyprenol skeleton
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic 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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