| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-05 18:48:50 UTC |
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| Updated at | 2022-09-05 18:48:50 UTC |
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| NP-MRD ID | NP0218222 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (4s,8e,10e,12e,14e,16e,18e,20e,22e,24e,29s)-29-(dodecanoyloxy)-6,6,10,14,19,23,27,27-octamethyl-2,7,26,31-tetraoxodotriaconta-8,10,12,14,16,18,20,22,24-nonaen-4-yl tetradecanoate |
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| Description | Tobiraxanthin a2 belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Thus, tobiraxanthin A2 is considered to be an isoprenoid. (4s,8e,10e,12e,14e,16e,18e,20e,22e,24e,29s)-29-(dodecanoyloxy)-6,6,10,14,19,23,27,27-octamethyl-2,7,26,31-tetraoxodotriaconta-8,10,12,14,16,18,20,22,24-nonaen-4-yl tetradecanoate is found in Pittosporum tobira. Based on a literature review very few articles have been published on Tobiraxanthin a2. |
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| Structure | CCCCCCCCCCCCCC(=O)O[C@H](CC(C)=O)CC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)C(C)(C)C[C@@H](CC(C)=O)OC(=O)CCCCCCCCCCC InChI=1S/C66H104O8/c1-13-15-17-19-21-23-24-26-28-30-32-44-64(72)74-60(50-58(8)68)52-66(11,12)62(70)48-46-56(6)42-36-40-54(4)38-34-33-37-53(3)39-35-41-55(5)45-47-61(69)65(9,10)51-59(49-57(7)67)73-63(71)43-31-29-27-25-22-20-18-16-14-2/h33-42,45-48,59-60H,13-32,43-44,49-52H2,1-12H3/b34-33+,39-35+,40-36+,47-45+,48-46+,53-37+,54-38+,55-41+,56-42+/t59-,60-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C66H104O8 |
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| Average Mass | 1025.5500 Da |
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| Monoisotopic Mass | 1024.77312 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C66H104O8/c1-13-15-17-19-21-23-24-26-28-30-32-44-64(72)74-60(50-58(8)68)52-66(11,12)62(70)48-46-56(6)42-36-40-54(4)38-34-33-37-53(3)39-35-41-55(5)45-47-61(69)65(9,10)51-59(49-57(7)67)73-63(71)43-31-29-27-25-22-20-18-16-14-2/h33-42,45-48,59-60H,13-32,43-44,49-52H2,1-12H3/b34-33+,39-35+,40-36+,47-45+,48-46+,53-37+,54-38+,55-41+,56-42+/t59-,60-/m1/s1 |
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| InChI Key | FLCJCAFJNIGYHV-PUOCLZMASA-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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| Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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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 | Triterpenoids |
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| Direct Parent | Triterpenoids |
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| Alternative Parents | |
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| Substituents | - Triterpenoid
- Fatty alcohol ester
- Fatty acid ester
- Dicarboxylic acid or derivatives
- Fatty acyl
- Acryloyl-group
- Enone
- Alpha,beta-unsaturated ketone
- Carboxylic acid ester
- Ketone
- Carboxylic acid derivative
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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 | Not Available |
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