| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 14:04:24 UTC |
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| Updated at | 2022-09-12 14:04:24 UTC |
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| NP-MRD ID | NP0329563 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (3as,4r,11as)-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,8h,9h,11ah-cyclodeca[b]furan-2,5-dione |
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| Description | Montaleucantholide A belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. (3as,4r,11as)-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,8h,9h,11ah-cyclodeca[b]furan-2,5-dione is found in Montanoa leucantha. Based on a literature review very few articles have been published on Montaleucantholide A. |
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| Structure | CC(C)CO[C@@H]1[C@@H]2[C@@H](OC(=O)C2=C)\C=C(C)/CC\C=C(C)/C1=O InChI=1S/C19H26O4/c1-11(2)10-22-18-16-14(5)19(21)23-15(16)9-12(3)7-6-8-13(4)17(18)20/h8-9,11,15-16,18H,5-7,10H2,1-4H3/b12-9-,13-8-/t15-,16-,18+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H26O4 |
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| Average Mass | 318.4130 Da |
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| Monoisotopic Mass | 318.18311 Da |
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| IUPAC Name | (3aS,4R,11aS)-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2,5-dione |
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| Traditional Name | (3aS,4R,11aS)-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3aH,4H,8H,9H,11aH-cyclodeca[b]furan-2,5-dione |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C)CO[C@@H]1[C@@H]2[C@@H](OC(=O)C2=C)\C=C(C)/CC\C=C(C)/C1=O |
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| InChI Identifier | InChI=1S/C19H26O4/c1-11(2)10-22-18-16-14(5)19(21)23-15(16)9-12(3)7-6-8-13(4)17(18)20/h8-9,11,15-16,18H,5-7,10H2,1-4H3/b12-9-,13-8-/t15-,16-,18+/m0/s1 |
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| InChI Key | SAOWIOVVJHKESK-QDICWKEQSA-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 germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. |
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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 | Terpene lactones |
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| Direct Parent | Germacranolides and derivatives |
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| Alternative Parents | |
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| Substituents | - Germacranolide
- Germacrane sesquiterpenoid
- Sesquiterpenoid
- Gamma butyrolactone
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Oxolane
- Carboxylic acid ester
- Ketone
- Cyclic ketone
- Lactone
- Carboxylic acid derivative
- Dialkyl ether
- Ether
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Organic oxide
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Organooxygen compound
- 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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