| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-29 06:27:25 UTC |
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| Updated at | 2022-04-29 06:27:25 UTC |
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| NP-MRD ID | NP0086082 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Triptersinine Z2 |
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| Description | Triptersinine Z2 is found in Tripterygium wilfordii . Based on a literature review very few articles have been published on (1R,2S,5S,6S,7S,9R,12R)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]Dodecan-7-yl furan-2-carboxylate. |
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| Structure | CC(=O)OC[C@@]12[C@H](CC[C@](C)(O)[C@@]11OC(C)(C)[C@@H]([C@H]1O)C(=O)[C@H]2OC(=O)C1=CC=CO1)OC(=O)C=CC1=CC=CC=C1 InChI=1S/C31H34O11/c1-18(32)39-17-30-21(40-22(33)13-12-19-9-6-5-7-10-19)14-15-29(4,37)31(30)25(35)23(28(2,3)42-31)24(34)26(30)41-27(36)20-11-8-16-38-20/h5-13,16,21,23,25-26,35,37H,14-15,17H2,1-4H3/t21-,23+,25+,26+,29-,30-,31+/m0/s1 |
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| Synonyms | | Value | Source |
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| (1R,2S,5S,6S,7S,9R,12R)-6-[(Acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0,]dodecan-7-yl furan-2-carboxylic acid | Generator |
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| Chemical Formula | C31H34O11 |
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| Average Mass | 582.6020 Da |
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| Monoisotopic Mass | 582.21011 Da |
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| IUPAC Name | (1R,2S,5S,6S,7S,9R,12R)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl furan-2-carboxylate |
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| Traditional Name | (1R,2S,5S,6S,7S,9R,12R)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl furan-2-carboxylate |
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| CAS Registry Number | Not Available |
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| SMILES | CC(=O)OC[C@@]12[C@H](CC[C@](C)(O)[C@@]11OC(C)(C)[C@@H]([C@H]1O)C(=O)[C@H]2OC(=O)C1=CC=CO1)OC(=O)C=CC1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C31H34O11/c1-18(32)39-17-30-21(40-22(33)13-12-19-9-6-5-7-10-19)14-15-29(4,37)31(30)25(35)23(28(2,3)42-31)24(34)26(30)41-27(36)20-11-8-16-38-20/h5-13,16,21,23,25-26,35,37H,14-15,17H2,1-4H3/t21-,23+,25+,26+,29-,30-,31+/m0/s1 |
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| InChI Key | HXXFEZGVIOLPLF-QUQWPGKISA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | 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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