Record Information |
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Version | 1.0 |
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Created at | 2022-09-10 21:15:06 UTC |
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Updated at | 2022-09-10 21:15:06 UTC |
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NP-MRD ID | NP0305420 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {2-[(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetate |
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Description | {2-[(5,5,8A-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. {2-[(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetate is found in Turraeanthus africanus. {2-[(5,5,8A-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC(=O)OC=C1CC(OC(C)=O)OC1CC1C(=C)CCC2C(C)(C)CCCC12C InChI=1S/C24H36O5/c1-15-8-9-21-23(4,5)10-7-11-24(21,6)19(15)13-20-18(14-27-16(2)25)12-22(29-20)28-17(3)26/h14,19-22H,1,7-13H2,2-6H3 |
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Synonyms | Value | Source |
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{2-[(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetic acid | Generator |
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Chemical Formula | C24H36O5 |
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Average Mass | 404.5470 Da |
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Monoisotopic Mass | 404.25627 Da |
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IUPAC Name | {2-[(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetate |
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Traditional Name | {2-[(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)methyl]-5-(acetyloxy)oxolan-3-ylidene}methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OC=C1CC(OC(C)=O)OC1CC1C(=C)CCC2C(C)(C)CCCC12C |
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InChI Identifier | InChI=1S/C24H36O5/c1-15-8-9-21-23(4,5)10-7-11-24(21,6)19(15)13-20-18(14-27-16(2)25)12-22(29-20)28-17(3)26/h14,19-22H,1,7-13H2,2-6H3 |
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InChI Key | MCRLOMDGPSFWII-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 | - Labdane diterpenoid
- Diterpenoid
- Dicarboxylic acid or derivatives
- Enol ester
- Tetrahydrofuran
- Carboxylic acid ester
- Oxacycle
- Acetal
- Carboxylic acid derivative
- Organoheterocyclic compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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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