| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-04 23:35:41 UTC |
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| Updated at | 2022-09-04 23:35:41 UTC |
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| NP-MRD ID | NP0204001 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1s,2s,7s,10r,11s,14s,15s,20s)-10-(acetyloxy)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid |
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| Description | Camarinic acid, also known as camarinate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (1s,2s,7s,10r,11s,14s,15s,20s)-10-(acetyloxy)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid is found in Lantana camara and Tilesia baccata. (1s,2s,7s,10r,11s,14s,15s,20s)-10-(acetyloxy)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]tetracos-4-ene-11-carboxylic acid was first documented in 2008 (PMID: 18816515). Based on a literature review very few articles have been published on Camarinic acid (PMID: 18758109). |
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| Structure | CC1C[C@@H](OC(C)=O)[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CCC3C(C)(C)[C@]5(O)CC[C@]43CO5)C2[C@H]1C)C(O)=O InChI=1S/C32H48O6/c1-18-16-24(38-20(3)33)31(26(34)35)14-12-28(6)21(25(31)19(18)2)8-9-23-29(28,7)11-10-22-27(4,5)32(36)15-13-30(22,23)17-37-32/h8,18-19,22-25,36H,9-17H2,1-7H3,(H,34,35)/t18?,19-,22?,23-,24+,25?,28+,29-,30+,31+,32-/m0/s1 |
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| Synonyms | | Value | Source |
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| Camarinate | Generator |
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| Chemical Formula | C32H48O6 |
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| Average Mass | 528.7300 Da |
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| Monoisotopic Mass | 528.34509 Da |
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| IUPAC Name | (1S,2S,7S,10R,11S,14S,15S,20S)-10-(acetyloxy)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0^{1,18}.0^{2,15}.0^{5,14}.0^{6,11}]tetracos-4-ene-11-carboxylic acid |
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| Traditional Name | (1S,2S,7S,10R,11S,14S,15S,20S)-10-(acetyloxy)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.0^{1,18}.0^{2,15}.0^{5,14}.0^{6,11}]tetracos-4-ene-11-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC1C[C@@H](OC(C)=O)[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@]3(C)CCC3C(C)(C)[C@]5(O)CC[C@]43CO5)C2[C@H]1C)C(O)=O |
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| InChI Identifier | InChI=1S/C32H48O6/c1-18-16-24(38-20(3)33)31(26(34)35)14-12-28(6)21(25(31)19(18)2)8-9-23-29(28,7)11-10-22-27(4,5)32(36)15-13-30(22,23)17-37-32/h8,18-19,22-25,36H,9-17H2,1-7H3,(H,34,35)/t18?,19-,22?,23-,24+,25?,28+,29-,30+,31+,32-/m0/s1 |
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| InChI Key | BVPSHWDVSJULFR-VUDWLZNVSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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 triterpenoids. These are terpene molecules containing six 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 | Triterpenoids |
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| Direct Parent | Triterpenoids |
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| Alternative Parents | |
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| Substituents | - Triterpenoid
- Naphthopyran
- Naphthalene
- Pyran
- Oxane
- Dicarboxylic acid or derivatives
- Cyclic alcohol
- Hemiacetal
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen 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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