Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 11:16:11 UTC |
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Updated at | 2022-09-09 11:16:11 UTC |
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NP-MRD ID | NP0283836 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {7,12-dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-3-en-4-yl}methyl acetate |
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Description | {7,12-Dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]Pentadec-3-en-4-yl}methyl acetate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. {7,12-dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-3-en-4-yl}methyl acetate is found in Bursera suntui. {7,12-Dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]Pentadec-3-en-4-yl}methyl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC(=O)OCC1=CCC2CCC(C)(O)C(CCC(=C)C(O)CC1)C2(C)C InChI=1S/C22H36O4/c1-15-6-11-20-21(3,4)18(12-13-22(20,5)25)9-7-17(8-10-19(15)24)14-26-16(2)23/h7,18-20,24-25H,1,6,8-14H2,2-5H3 |
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Synonyms | Value | Source |
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{7,12-dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-3-en-4-yl}methyl acetic acid | Generator |
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Chemical Formula | C22H36O4 |
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Average Mass | 364.5260 Da |
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Monoisotopic Mass | 364.26136 Da |
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IUPAC Name | {7,12-dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-3-en-4-yl}methyl acetate |
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Traditional Name | {7,12-dihydroxy-12,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadec-3-en-4-yl}methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OCC1=CCC2CCC(C)(O)C(CCC(=C)C(O)CC1)C2(C)C |
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InChI Identifier | InChI=1S/C22H36O4/c1-15-6-11-20-21(3,4)18(12-13-22(20,5)25)9-7-17(8-10-19(15)24)14-26-16(2)23/h7,18-20,24-25H,1,6,8-14H2,2-5H3 |
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InChI Key | GJIRORGIXAOOPP-UHFFFAOYSA-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 diterpenoids. These are terpene compounds formed by four 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 | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Verticillane diterpenoid
- Diterpenoid
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- 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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