| Record Information |
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| Version | 2.0 |
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| Created at | 2025-01-13 12:12:58 UTC |
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| Updated at | 2025-01-15 00:05:18 UTC |
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| NP-MRD ID | NP0350609 |
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| Natural Product DOI | https://doi.org/10.57994/3587 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 18-nor-prochaetoglobosin II |
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| Description | 18-nor-prochaetoglobosin II was first documented in 2025 (PMID: 39745281). Based on a literature review very few articles have been published on 18-nor-prochaetoglobosin II. |
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| Structure | [H][C@]12[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@@]11[C@H](C=C(C)[C@H]2C)\C=C/C[C@H](C)\C=C/CC(=O)\C=C/C1=O InChI=1S/C31H34N2O3/c1-19-8-6-10-23-16-20(2)21(3)29-27(17-22-18-32-26-13-5-4-12-25(22)26)33-30(36)31(23,29)28(35)15-14-24(34)11-7-9-19/h4-7,9-10,12-16,18-19,21,23,27,29,32H,8,11,17H2,1-3H3,(H,33,36)/b9-7-,10-6-,15-14-/t19-,21+,23-,27-,29-,31+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C31H34N2O3 |
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| Average Mass | 482.6240 Da |
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| Monoisotopic Mass | 482.25694 Da |
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| IUPAC Name | (3S,3aR,4S,6aS,10S,17aS)-3-[(1H-indol-3-yl)methyl]-4,5,10-trimethyl-1H,2H,3H,3aH,4H,6aH,9H,10H,13H,14H,17H-cyclotrideca[d]isoindole-1,14,17-trione |
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| Traditional Name | (3S,3aR,4S,6aS,10S,17aS)-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-2H,3H,3aH,4H,6aH,9H,10H,13H-cyclotrideca[d]isoindole-1,14,17-trione |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@@]11[C@H](C=C(C)[C@H]2C)\C=C/C[C@H](C)\C=C/CC(=O)\C=C/C1=O |
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| InChI Identifier | InChI=1S/C31H34N2O3/c1-19-8-6-10-23-16-20(2)21(3)29-27(17-22-18-32-26-13-5-4-12-25(22)26)33-30(36)31(23,29)28(35)15-14-24(34)11-7-9-19/h4-7,9-10,12-16,18-19,21,23,27,29,32H,8,11,17H2,1-3H3,(H,33,36)/b9-7-,10-6-,15-14-/t19-,21+,23-,27-,29-,31+/m0/s1 |
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| InChI Key | GNVSWBJAVGLESX-LEVAGUFUSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | jason_dyl@163.com | Institute of Oceanology, Chinese Academy of Sciences | Yuliang Dong | 2025-01-13 | 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 | | Species Name | Source | Reference |
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| Chaetomium globosum AS-506 | | |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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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