| Record Information |
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| Version | 2.0 |
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| Created at | 2025-03-24 08:01:35 UTC |
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| Updated at | 2025-06-11 02:39:11 UTC |
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| NP-MRD ID | NP0350888 |
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| Natural Product DOI | https://doi.org/10.57994/3873 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | asperterpenoid G |
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| Description | Not Available |
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| Structure | [H][C@]12C[C@@]1(C)[C@]1([H])CCC(C(=O)OC)=C1C[C@@]1(C)C[C@H](OC(=O)C(O)=O)[C@]3(C)CC[C@@H](C(C)C)[C@@]3([H])[C@]21[H] InChI=1S/C28H40O6/c1-14(2)15-9-10-27(4)20(34-25(32)23(29)30)13-26(3)11-17-16(24(31)33-6)7-8-18(17)28(5)12-19(28)22(26)21(15)27/h14-15,18-22H,7-13H2,1-6H3,(H,29,30)/t15-,18+,19+,20-,21-,22-,26-,27-,28-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C28H40O6 |
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| Average Mass | 472.6220 Da |
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| Monoisotopic Mass | 472.28249 Da |
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| IUPAC Name | methyl (1S,2R,4R,5S,11S,13S,14R,17S,18S)-13-[(carboxycarbonyl)oxy]-4,11,14-trimethyl-17-(propan-2-yl)pentacyclo[9.7.0.0^{2,4}.0^{5,9}.0^{14,18}]octadec-8-ene-8-carboxylate |
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| Traditional Name | methyl (1S,2R,4R,5S,11S,13S,14R,17S,18S)-13-[(carboxycarbonyl)oxy]-17-isopropyl-4,11,14-trimethylpentacyclo[9.7.0.0^{2,4}.0^{5,9}.0^{14,18}]octadec-8-ene-8-carboxylate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12C[C@@]1(C)[C@]1([H])CCC(C(=O)OC)=C1C[C@@]1(C)C[C@H](OC(=O)C(O)=O)[C@]3(C)CC[C@@H](C(C)C)[C@@]3([H])[C@]21[H] |
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| InChI Identifier | InChI=1S/C28H40O6/c1-14(2)15-9-10-27(4)20(34-25(32)23(29)30)13-26(3)11-17-16(24(31)33-6)7-8-18(17)28(5)12-19(28)22(26)21(15)27/h14-15,18-22H,7-13H2,1-6H3,(H,29,30)/t15-,18+,19+,20-,21-,22-,26-,27-,28-/m0/s1 |
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| InChI Key | MXEABHYCPOGKIT-CINSTOAFSA-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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| HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | xxbai2014@163.com | Guangxi University of Chinese Medicine | Meng Bai | 2025-03-24 | 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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| Aspergillus Aspergillus sp. | | |
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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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