Record Information |
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Version | 2.0 |
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Created at | 2022-09-11 23:54:51 UTC |
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Updated at | 2022-09-11 23:54:51 UTC |
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NP-MRD ID | NP0321614 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(1s,2s,4r,5s,9r,10r,13s)-2-(acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methyl acetate |
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Description | [(1S,2S,4R,5S,9R,10R,13S)-2-(acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadec-14-en-5-yl]methyl acetate belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on [(1S,2S,4R,5S,9R,10R,13S)-2-(acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]Hexadec-14-en-5-yl]methyl acetate. |
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Structure | CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@]3(C=C4)[C@H](C[C@@H]12)OC(C)=O InChI=1S/C24H36O4/c1-16(25)27-15-22(4)8-6-9-23(5)18-7-10-21(3)11-12-24(18,14-21)20(13-19(22)23)28-17(2)26/h11-12,18-20H,6-10,13-15H2,1-5H3/t18-,19+,20+,21-,22-,23+,24-/m1/s1 |
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Synonyms | Value | Source |
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[(1S,2S,4R,5S,9R,10R,13S)-2-(Acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0,.0,]hexadec-14-en-5-yl]methyl acetic acid | Generator |
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Chemical Formula | C24H36O4 |
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Average Mass | 388.5480 Da |
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Monoisotopic Mass | 388.26136 Da |
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IUPAC Name | [(1S,2S,4R,5S,9R,10R,13S)-2-(acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-5-yl]methyl acetate |
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Traditional Name | [(1S,2S,4R,5S,9R,10R,13S)-2-(acetyloxy)-5,9,13-trimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-en-5-yl]methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@]4(C)C[C@@]3(C=C4)[C@H](C[C@@H]12)OC(C)=O |
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InChI Identifier | InChI=1S/C24H36O4/c1-16(25)27-15-22(4)8-6-9-23(5)18-7-10-21(3)11-12-24(18,14-21)20(13-19(22)23)28-17(2)26/h11-12,18-20H,6-10,13-15H2,1-5H3/t18-,19+,20+,21-,22-,23+,24-/m1/s1 |
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InChI Key | MHHMKHWAIDJFGO-SJIUFLAJSA-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 | Not Available |
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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 | - Diterpenoid
- Beyerane diterpenoid
- Dicarboxylic acid or derivatives
- Carboxylic acid ester
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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