| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 08:20:25 UTC |
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| Update date | 2018-04-27 10:10:10 UTC |
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| FoodComEx ID | PC001113 |
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| FoodDB Record | FDB013270 |
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| Chemical Information |
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| Name | Tomatidine |
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| Description | Alkaloid from Lycopersicon esculentum (tomato). Tomatidine is found in garden tomato, garden tomato (variety), and potato. |
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| CAS Number | 77-59-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (22S,25S)-5alpha-spirosolan-3beta-ol | biospider | | (3beta,5alpha,22beta,25S)-spirosolan-3-ol | biospider | | (3beta,5alpha,25S)-spirosolan-3-ol | biospider | | 5α-Tomatidan-3β-ol | biospider | | 5a-Tomatidan-3b-ol, 8CI | db_source | | 5alpha-tomatidan-3beta-ol | biospider | | 5alpha-Tomatidan-3beta-ol (8CI) | biospider | | Spirosolan-3-ol | biospider | | Spirosolan-3-ol, (3α,22α-Tomatidan-3β-ol | biospider | | Spirosolan-3-ol, (3β,5α,22β,25S)- | biospider | | Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- | biospider | | Spirosolan-3-ol, (3beta,5alpha,22beta,25S)- (9CI) | biospider | | Tomatidin | biospider | | Tomatidine | db_source |
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| Chemical Formula | C27H45NO2 |
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| IUPAC name | 5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-16-ol |
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| InChI Identifier | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3 |
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| InChI Key | XYNPYHXGMWJBLV-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC11CCC(C)CN1 |
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| Average Molecular Weight | 415.6517 |
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| Monoisotopic Molecular Weight | 415.345029689 |
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| Chemical Taxonomy |
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| Class | Alkaloids |
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| Family | steroid alkaloids |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Mp 210-211° | DFC |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | unknown |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | 8282AH |
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