Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 04:13:07 UTC |
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Updated at | 2022-04-29 04:13:07 UTC |
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NP-MRD ID | NP0083176 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Pierisformosin D |
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Description | (1S,2S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-2-(acetyloxy)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]Hexadecan-16-yl propanoate belongs to the class of organic compounds known as leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton. (+)-Pierisformosin D is found in Pieris formosa . Based on a literature review very few articles have been published on (1S,2S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-2-(acetyloxy)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]Hexadecan-16-yl propanoate. |
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Structure | CCC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@]2(C)O)[C@H](OC(C)=O)[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O InChI=1S/C25H40O9/c1-7-17(28)34-19-13-8-9-14-23(6,31)15-10-16(27)21(3,4)25(15,32)18(29)20(33-12(2)26)24(14,19)11-22(13,5)30/h13-16,18-20,27,29-32H,7-11H2,1-6H3/t13-,14+,15+,16+,18-,19+,20-,22-,23-,24+,25+/m1/s1 |
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Synonyms | Value | Source |
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(1S,2S,3R,4R,6S,8S,9R,10R,13R,14R,16S)-2-(Acetyloxy)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0,.0,]hexadecan-16-yl propanoic acid | Generator |
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Chemical Formula | C25H40O9 |
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Average Mass | 484.5860 Da |
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Monoisotopic Mass | 484.26723 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 | CCC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@]2(C)O)[C@H](OC(C)=O)[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O |
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InChI Identifier | InChI=1S/C25H40O9/c1-7-17(28)34-19-13-8-9-14-23(6,31)15-10-16(27)21(3,4)25(15,32)18(29)20(33-12(2)26)24(14,19)11-22(13,5)30/h13-16,18-20,27,29-32H,7-11H2,1-6H3/t13-,14+,15+,16+,18-,19+,20-,22-,23-,24+,25+/m1/s1 |
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InChI Key | YAVPGXJCYJDEFO-CXEQXPKLSA-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 leucothol and grayanotoxane diterpenoids. These are diterpenoids with a structure based either on the leucothol or the grayanotoxane skeleton. |
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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 | Diterpenoids |
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Direct Parent | Leucothol and grayanotoxane diterpenoids |
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Alternative Parents | |
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Substituents | - Grayanotoxane diterpenoid
- Dicarboxylic acid or derivatives
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid ester
- Polyol
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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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