| Record Information |
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| Version | 2.0 |
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| Created at | 2022-04-29 06:27:17 UTC |
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| Updated at | 2022-04-29 06:27:17 UTC |
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| NP-MRD ID | NP0086079 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Triptersinine X |
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| Description | Triptersinine X is found in Tripterygium wilfordii . Based on a literature review very few articles have been published on (1R,2S,5S,6S,7S,8R,9S)-8-(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-5-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]Dodecan-7-yl furan-2-carboxylate. |
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| Structure | [H]C1(O)[C@H]2[C@@H](OC(C)=O)[C@@H](OC(=O)C3=CC=CO3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@]13OC2(C)C)OC(=O)C=CC1=CC=CC=C1 InChI=1S/C33H38O12/c1-19(34)41-18-32-23(43-24(36)14-13-21-10-7-6-8-11-21)15-16-31(5,39)33(32)27(37)25(30(3,4)45-33)26(42-20(2)35)28(32)44-29(38)22-12-9-17-40-22/h6-14,17,23,25-28,37,39H,15-16,18H2,1-5H3/t23-,25+,26+,27?,28+,31-,32-,33+/m0/s1 |
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| Synonyms | | Value | Source |
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| (1R,2S,5S,6S,7S,8R,9S)-8-(Acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-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 | C33H38O12 |
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| Average Mass | 626.6550 Da |
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| Monoisotopic Mass | 626.23633 Da |
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| IUPAC Name | (1R,2S,5S,6S,7S,8R,9S)-8-(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-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,8R,9S)-8-(acetyloxy)-6-[(acetyloxy)methyl]-2,12-dihydroxy-2,10,10-trimethyl-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 | [H]C1(O)[C@H]2[C@@H](OC(C)=O)[C@@H](OC(=O)C3=CC=CO3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@]13OC2(C)C)OC(=O)C=CC1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C33H38O12/c1-19(34)41-18-32-23(43-24(36)14-13-21-10-7-6-8-11-21)15-16-31(5,39)33(32)27(37)25(30(3,4)45-33)26(42-20(2)35)28(32)44-29(38)22-12-9-17-40-22/h6-14,17,23,25-28,37,39H,15-16,18H2,1-5H3/t23-,25+,26+,27?,28+,31-,32-,33+/m0/s1 |
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| InChI Key | MLVFUJVXOZOGBN-LSXSHHDBSA-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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