| Record Information |
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| Version | 2.0 |
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| Created at | 2024-10-19 08:51:30 UTC |
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| Updated at | 2024-10-21 00:02:11 UTC |
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| NP-MRD ID | NP0341904 |
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| Natural Product DOI | https://doi.org/10.57994/3392 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | argyinolide O |
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| Description | Based on a literature review very few articles have been published on argyinolide O. |
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| Structure | CC1=C2C(=O)C=C[C@]2(C)C[C@H]2OC(=O)[C@@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]5(C)O)[C@H]2C1 InChI=1S/C30H34O6/c1-15-12-18-20(13-26(3)8-7-19(31)21(15)26)35-25(33)30(18)14-29-11-10-27(30,4)23(29)22-17(6-9-28(29,5)34)16(2)24(32)36-22/h7-8,10-11,17-18,20,22-23,34H,2,6,9,12-14H2,1,3-5H3/t17-,18-,20+,22-,23?,26+,27+,28+,29-,30+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C30H34O6 |
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| Average Mass | 490.5960 Da |
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| Monoisotopic Mass | 490.23554 Da |
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| IUPAC Name | (1'R,2'R,3S,3aR,5'S,8aS,9'S,9aR,11'R)-2'-hydroxy-2',5,8a,11'-tetramethyl-6'-methylidene-3a,4,6,8a,9,9a-hexahydro-2H-8'-oxaspiro[azuleno[5,6-b]furan-3,12'-tetracyclo[9.2.2.0^{1,10}.0^{5,9}]pentadecan]-14'-ene-2,6,7'-trione |
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| Traditional Name | (1'R,2'R,3S,3aR,5'S,8aS,9'S,9aR,11'R)-2'-hydroxy-2',5,8a,11'-tetramethyl-6'-methylidene-3a,4,9,9a-tetrahydro-8'-oxaspiro[azuleno[5,6-b]furan-3,12'-tetracyclo[9.2.2.0^{1,10}.0^{5,9}]pentadecan]-14'-ene-2,6,7'-trione |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=C2C(=O)C=C[C@]2(C)C[C@H]2OC(=O)[C@@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]5(C)O)[C@H]2C1 |
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| InChI Identifier | InChI=1S/C30H34O6/c1-15-12-18-20(13-26(3)8-7-19(31)21(15)26)35-25(33)30(18)14-29-11-10-27(30,4)23(29)22-17(6-9-28(29,5)34)16(2)24(32)36-22/h7-8,10-11,17-18,20,22-23,34H,2,6,9,12-14H2,1,3-5H3/t17-,18-,20+,22-,23?,26+,27+,28+,29-,30+/m0/s1 |
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| InChI Key | USWDCFMEFCAKIM-GOCSUVRDSA-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, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | [email protected] | Not Available | wuyixun | 2024-10-19 | 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 | |
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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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