Record Information |
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Version | 2.0 |
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Created at | 2022-04-28 23:15:06 UTC |
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Updated at | 2022-04-28 23:15:06 UTC |
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NP-MRD ID | NP0078120 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Tripfordine C |
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Description | [(1R,3S,13R,14R,17R,18S,19R,20R,21R,22R,23S,24R,25R)-18,19,21,22-tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]Pentacosa-7,9,11-trien-20-yl]methyl acetate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Tripfordine C is found in Tripterygium wilfordii . Based on a literature review very few articles have been published on [(1R,3S,13R,14R,17R,18S,19R,20R,21R,22R,23S,24R,25R)-18,19,21,22-tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]Pentacosa-7,9,11-trien-20-yl]methyl acetate. |
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Structure | C[C@@H]1[C@@H](C)C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](O)[C@@]3(O[C@]4(C)COC(=O)C3=C1C=CN=C3)[C@]2(C)O InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)24-27(43)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24-,25-,26-,27-,28-,29+,30+,33-,34-,35-,36-/m1/s1 |
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Synonyms | Value | Source |
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[(1R,3S,13R,14R,17R,18S,19R,20R,21R,22R,23S,24R,25R)-18,19,21,22-Tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0,.0,.0,]pentacosa-7,9,11-trien-20-yl]methyl acetic acid | Generator |
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Chemical Formula | C36H45NO17 |
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Average Mass | 763.7460 Da |
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Monoisotopic Mass | 763.26875 Da |
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IUPAC Name | [(1R,3S,13R,14R,17R,18S,19R,20R,21R,22R,23S,24R,25R)-18,19,21,22-tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-20-yl]methyl acetate |
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Traditional Name | [(1R,3S,13R,14R,17R,18S,19R,20R,21R,22R,23S,24R,25R)-18,19,21,22-tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-20-yl]methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1[C@@H](C)C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](O)[C@@]3(O[C@]4(C)COC(=O)C3=C1C=CN=C3)[C@]2(C)O |
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InChI Identifier | InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)24-27(43)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15-,16-,24-,25-,26-,27-,28-,29+,30+,33-,34-,35-,36-/m1/s1 |
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InChI Key | INDHYPIBEYIOOF-SQDIOKPGSA-N |
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Experimental Spectra |
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| Not Available |
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Predicted Spectra |
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| Not Available |
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Chemical Shift Submissions |
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| Not Available |
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Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Terpene lactones |
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Direct Parent | Terpene lactones |
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Alternative Parents | |
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Substituents | - Terpene lactone
- Sesquiterpenoid
- Agarofuran
- Pyridine carboxylic acid
- Oxepane
- Pyridine
- Monosaccharide
- Heteroaromatic compound
- Tetrahydrofuran
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Ether
- Dialkyl ether
- Carboxylic acid derivative
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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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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